A0A096NHN7_PAPAN Loading...

FA complementation group E

AlphaFold DB , UniProt , Accession A0A096NHN7, Species PAPAN (Papio anubis, Olive baboon), Gene FANCE, Length 536 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low31.9Very low252 Ų252128.4 Ų128.4100%1.24185%0.852SS**  0109.90-81.7176.6168.100106.7
2A31Very low31.8Very low101 Ų101133.9 Ų133.984%0.83586%0.857SS**PPolyproline II helixtrans-83.9137.5-173.800000110.4
3T28.1Very low31.8Very low133 Ų133128.3 Ų128.382%0.81684%0.839SS**PPolyproline II helixtrans-69.7133.5165.640.90000110.2
4P39.5Very low31.8Very low127 Ų127127.6 Ų127.683%0.82584%0.839SS**PPolyproline II helixtrans-91.6132.9159.832.7-24.2000110.3
5D34.4Very low32.9Very low161 Ų161131.3 Ų131.386%0.86184%0.839SS**PPolyproline II helixtrans-78141.6169.8-172.618.9000110.4
6A31.3Very low34.4Very low100 Ų100133.2 Ų133.283%0.82683%0.834SS**  trans167.7128.8163.800000107.8
7G26.4Very low36.4Very low68 Ų68127.9 Ų127.970%0.70181%0.806SS**  cis177.5146.33.100000104.9
8L30.3Very low38.3Very low170 Ų170122.5 Ų122.589%0.8977%0.772SS**  trans-51.3141.2177.8-71.6152.7000111.1G10L8-G10 PolarHBondContact O-N 3.17Å
9P33.8Very low40.2Very low130 Ų130117.4 Ų117.484%0.84474%0.737SS**  trans-64.8109.9172.125.9-29.2000108.2
10G27.3Very low41.9Very low60 Ų60113.5 Ų113.562%0.61972%0.716SS**  trans-61.1150.7177.500000111.5L8 E12L8-G10 PolarHBondContact O-N 3.17Å; G10-E12 PolarHBondContact O-N 2.68Å
11A31.1Very low43.6Very low110 Ų110115.4 Ų115.491%0.90972%0.716SS**  trans-46.7102.3168.300000111.1G13A11-G13 PolarHBondContact O-N 2.88Å
12E31.2Very low45.8Very low195 Ų195104.7 Ų104.791%0.91166%0.664SS**  trans-74106.9166.3-76.9-172.7154.400108.4G10G10-E12 PolarHBondContact O-N 2.68Å
13G31.4Very low48.4Very low61 Ų61104.9 Ų104.963%0.62965%0.648SS**  trans46.988.4148.900000116.8A11 E15A11-G13 PolarHBondContact O-N 2.88Å; G13-E15 PolarHBondContact O-N 3.15Å
14S32.3Very low51.1Low119 Ų119101 Ų10183%0.83263%0.629SS**  trans-57.497.2141.936.30000107.1Q16S14-Q16 PolarHBondContact O-N 2.73Å
15E47.3Very low53.4Low182 Ų18297 Ų9785%0.8560%0.603SS**  trans-49.4112.5173.9-75.7-170.4150.800107.6G13 A17G13-E15 PolarHBondContact O-N 3.15Å; E15-A17 PolarHBondContact O-N 3.44Å
16Q58Low56Low162 Ų16289.8 Ų89.876%0.75757%0.566SS**  trans-55.2132.3174.9-76.8177.9-4.300107.5S14 A20S14-Q16 PolarHBondContact O-N 2.73Å; Q16-A20 HydrophobicContact CB-CB 4.35Å
17A68.2Low58.8Low43 Ų4389.7 Ų89.736%0.35554%0.544SS..  trans-49.2136.1179.600000109.6E15 W19 A20E15-A17 PolarHBondContact O-N 3.44Å; A17-W19 HydrophobicContact CB-CD2 4.19Å; A17-W19 HydrophobicContact CB-CH2 4.3Å; A17-W19 HydrophobicContact CB-CZ2 3.73Å; A17-W19 PolarHBondContact O-N 2.86Å; A17-A20 WeakPolarHBondContact O-CB 3.11Å; A17-A20 PolarHBondContact O-N 2.96Å
18P70.3Confident61.9Low31 Ų3190.6 Ų90.620%0.20153%0.532CS..THydrogen-bonded Turntrans-61.2-19.1-166.617.6-27.5000113.6L86 R89P18-L86 HydrophobicContact CB-CD1 3.87Å; P18-R89 HydrophobicContact CB-CB 4.32Å; P18-R89 HydrophobicContact CG-CB 4.32Å
19W74.1Confident64.8Low25 Ų2582.5 Ų82.510%0.09549%0.49CS..THydrogen-bonded Turntrans-95.711.1175.355.184.9000115A17 Q21 L22 R27 L30 L90 P91A17-W19 HydrophobicContact CB-CD2 4.19Å; A17-W19 HydrophobicContact CB-CH2 4.3Å; A17-W19 HydrophobicContact CB-CZ2 3.73Å; A17-W19 PolarHBondContact O-N 2.86Å; W19-Q21 PolarHBondContact O-N 3.2Å; W19-Q21 VanDerWaalsContact O-N 3.15Å; W19-L22 HydrophobicContact CB-CD1 3.74Å; W19-L22 HydrophobicContact CB-CG 4.09Å; W19-L22 WeakPolarHBondContact O-CB 3.35Å; W19-L22 WeakPolarHBondContact O-CG 3.42Å; W19-L22 PolarHBondContact O-N 3.09Å; W19-L22 VanDerWaalsContact O-N 3.07Å; W19-R27 WeakPolarHBondContact O-CG 3.25Å; W19-L30 HydrophobicContact CB-CD1 3.46Å; W19-L30 VanDerWaalsContact CB-CD1 3.46Å; W19-L30 HydrophobicContact CD2-CD1 4.32Å; W19-L30 HydrophobicContact CG-CB 4.48Å; W19-L30 HydrophobicContact CG-CD1 3.71Å; W19-L90 HydrophobicContact CD2-CD2 4.23Å; W19-L90 HydrophobicContact CE3-CD2 3.29Å; W19-L90 HydrophobicContact CZ3-CD2 3.63Å; W19-P91 HydrophobicContact CH2-CG 4.42Å
20A74.4Confident67.6Low39 Ų3976.3 Ų76.332%0.32245%0.45SS..THydrogen-bonded Turntrans-61.2-24.3-177.900000113.3Q16 A17 L22 R27Q16-A20 HydrophobicContact CB-CB 4.35Å; A17-A20 WeakPolarHBondContact O-CB 3.11Å; A17-A20 PolarHBondContact O-N 2.96Å; A20-L22 VanDerWaalsContact C-N 3.31Å; A20-R27 WeakPolarHBondContact O-CD 3.42Å
21Q77.4Confident70.7Confident154 Ų15478 Ų7872%0.7244%0.442SS*.THydrogen-bonded Turntrans-81.3-7.9179.1-57.6-178.418.800113.5W19W19-Q21 PolarHBondContact O-N 3.2Å; W19-Q21 VanDerWaalsContact O-N 3.15Å
22L84.1Confident73.6Confident27 Ų2773.4 Ų73.414%0.14140%0.403CS..SBendtrans-73.1155.8178.2-59.1-175.6000111.9W19 A20 A26 R27 L30 L63 A66 L86W19-L22 HydrophobicContact CB-CD1 3.74Å; W19-L22 HydrophobicContact CB-CG 4.09Å; W19-L22 WeakPolarHBondContact O-CB 3.35Å; W19-L22 WeakPolarHBondContact O-CG 3.42Å; W19-L22 PolarHBondContact O-N 3.09Å; W19-L22 VanDerWaalsContact O-N 3.07Å; A20-L22 VanDerWaalsContact C-N 3.31Å; L22-A26 HydrophobicContact CB-CB 3.99Å; L22-A26 HydrophobicContact CD1-CB 4.17Å; L22-R27 HydrophobicContact CB-CG 3.88Å; L22-R27 VanDerWaalsContact O-CD 3.25Å; L22-R27 WeakPolarHBondContact O-CD 3.49Å; L22-R27 WeakPolarHBondContact O-CG 3.43Å; L22-R27 PolarHBondContact O-NE 3.26Å; L22-L30 HydrophobicContact CD1-CD1 3.45Å; L22-L30 VanDerWaalsContact CD1-CD1 3.45Å; L22-L63 HydrophobicContact CD1-CD1 4.42Å; L22-A66 HydrophobicContact CD2-CB 3.49Å; L22-A66 VanDerWaalsContact CD2-CB 3.49Å; L22-L86 HydrophobicContact CD1-CD2 4.15Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; L22-L86 HydrophobicContact CG-CD2 4.41Å
23E85.5Confident76.6Confident106 Ų10664.1 Ų64.150%0.49536%0.36SS..  trans-59.1153.8173.3-64.5-176.2-173.900111.7P25 A26 R27 R62E23-P25 VanDerWaalsContact C-CD 3.45Å; E23-P25 VanDerWaalsContact C-N 3.34Å; E23-A26 PolarHBondContact O-N 2.93Å; E23-A26 VanDerWaalsContact O-N 3.09Å; E23-R27 PolarHBondContact O-N 3.3Å; E23-R62 IonicContact OE1-CZ 2.61Å; E23-R62 IonicContact OE1-NH1 2.9Å; E23-R62 PolarHBondContact OE1-NH1 3.09Å
24A85.3Confident79.5Confident51 Ų5164.8 Ų64.842%0.42135%0.347SS..Hα-helixtrans-53-41.9-175.200000114.1A26 R27 L28A24-A26 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.42Å; A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.83Å
25P87.3Confident82.1Confident43 Ų4361.8 Ų61.828%0.27933%0.329SS..Hα-helixtrans-62.8-42.1177.1-23.535.6000113.3E23 L28 L29 L50 F58E23-P25 VanDerWaalsContact C-CD 3.45Å; E23-P25 VanDerWaalsContact C-N 3.34Å; P25-L28 PolarHBondContact O-N 2.88Å; P25-L29 PolarHBondContact O-N 3.42Å; P25-L29 VanDerWaalsContact O-N 3.07Å; P25-L50 HydrophobicContact CB-CD1 4.08Å; P25-F58 HydrophobicContact CB-CD2 4.16Å; P25-F58 HydrophobicContact CB-CE2 3.85Å
26A89.6Confident84Confident10 Ų1054.1 Ų54.18%0.08330%0.299CS..Hα-helixtrans-67.1-39.317800000111.8L22 E23 A24 L29 L30 L63L22-A26 HydrophobicContact CB-CB 3.99Å; L22-A26 HydrophobicContact CD1-CB 4.17Å; E23-A26 PolarHBondContact O-N 2.93Å; E23-A26 VanDerWaalsContact O-N 3.09Å; A24-A26 PolarHBondContact O-N 3.42Å; A26-L29 PolarHBondContact O-N 3.24Å; A26-L30 PolarHBondContact O-N 3.49Å; A26-L63 HydrophobicContact CB-CD1 3.86Å
27R90.6Very high85.2Confident97 Ų9751.7 Ų51.737%0.36630%0.298SS..Hα-helixtrans-63.1-45.8174.8-72.1-171.5-75149.1-0.2112.3W19 A20 L22 E23 A24 L29 L30 Q31W19-R27 WeakPolarHBondContact O-CG 3.25Å; A20-R27 WeakPolarHBondContact O-CD 3.42Å; L22-R27 HydrophobicContact CB-CG 3.88Å; L22-R27 VanDerWaalsContact O-CD 3.25Å; L22-R27 WeakPolarHBondContact O-CD 3.49Å; L22-R27 WeakPolarHBondContact O-CG 3.43Å; L22-R27 PolarHBondContact O-NE 3.26Å; E23-R27 PolarHBondContact O-N 3.3Å; A24-R27 PolarHBondContact O-N 3.42Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 2.97Å; R27-L30 PolarHBondContact O-N 3.07Å; R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 VanDerWaalsContact O-CG 3.26Å; R27-Q31 WeakPolarHBondContact O-CG 3.22Å; R27-Q31 PolarHBondContact O-N 3.08Å
28L89.9Confident86.1Confident87 Ų8754.1 Ų54.146%0.45530%0.302SS..Hα-helixtrans-60.4-38.5176.4-72.3170.6000111.5A24 P25 A32 V46A24-L28 WeakPolarHBondContact O-CG 3.42Å; A24-L28 PolarHBondContact O-N 2.83Å; P25-L28 PolarHBondContact O-N 2.88Å; L28-A32 PolarHBondContact O-N 3.27Å; L28-V46 HydrophobicContact CB-CG1 4.29Å
29L92.6Very high87.1Confident0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-65.2-49.5176.8-173.262.9000111.8P25 A26 R27 Q31 A32 L33 L47 F58 W60 L63 L101P25-L29 PolarHBondContact O-N 3.42Å; P25-L29 VanDerWaalsContact O-N 3.07Å; A26-L29 PolarHBondContact O-N 3.24Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 2.97Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 3.02Å; L29-A32 VanDerWaalsContact O-N 3.15Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.99Å; L29-L47 HydrophobicContact CD1-CD1 4.5Å; L29-L47 HydrophobicContact CD1-CD2 4.37Å; L29-L47 HydrophobicContact CD1-CG 4.1Å; L29-L47 HydrophobicContact CD2-CD2 4.36Å; L29-F58 HydrophobicContact CD2-CE1 4.01Å; L29-F58 HydrophobicContact CD2-CE2 4.38Å; L29-F58 HydrophobicContact CD2-CZ 3.66Å; L29-W60 HydrophobicContact CD2-CH2 4.17Å; L29-W60 HydrophobicContact CD2-CZ3 4.22Å; L29-L63 HydrophobicContact CD2-CD2 3.8Å; L29-L101 HydrophobicContact CD1-CD2 3.74Å; L29-L101 HydrophobicContact CD2-CD2 4.19Å; L29-L101 HydrophobicContact CG-CD2 4.27Å
30L92.2Very high87.9Confident0 Ų052.4 Ų52.40%030%0.295CS..Hα-helixtrans-63.2-37.8178.2-68.8179.3000112.2W19 L22 A26 R27 A32 L33 Q34 L90W19-L30 HydrophobicContact CB-CD1 3.46Å; W19-L30 VanDerWaalsContact CB-CD1 3.46Å; W19-L30 HydrophobicContact CD2-CD1 4.32Å; W19-L30 HydrophobicContact CG-CB 4.48Å; W19-L30 HydrophobicContact CG-CD1 3.71Å; L22-L30 HydrophobicContact CD1-CD1 3.45Å; L22-L30 VanDerWaalsContact CD1-CD1 3.45Å; A26-L30 PolarHBondContact O-N 3.49Å; R27-L30 PolarHBondContact O-N 3.07Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.41Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-Q34 WeakPolarHBondContact O-CG 3.44Å; L30-Q34 PolarHBondContact O-N 3.2Å; L30-L90 HydrophobicContact CD1-CD2 4.43Å; L30-L90 HydrophobicContact CD2-CD1 4.05Å
31Q91.6Very high88.7Confident97 Ų9759 Ų5945%0.45331%0.312SS..Hα-helixtrans-61.8-37.7173.1-76.1175.5-7.300112.8R27 L29 Q34R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 VanDerWaalsContact O-CG 3.26Å; R27-Q31 WeakPolarHBondContact O-CG 3.22Å; R27-Q31 PolarHBondContact O-N 3.08Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.98Å; Q31-Q34 WeakPolarHBondContact O-CG 3.48Å
32A92.6Very high89.3Confident12 Ų1258.8 Ų58.810%0.09930%0.304CS..Hα-helixtrans-70.7-37.4174.300000112L28 L29 L30 Q34 A35 G39 R42 V46L28-A32 PolarHBondContact O-N 3.27Å; L29-A32 PolarHBondContact O-N 3.02Å; L29-A32 VanDerWaalsContact O-N 3.15Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.41Å; A32-Q34 VanDerWaalsContact C-N 3.32Å; A32-Q34 PolarHBondContact O-N 3.34Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.44Å; A32-G39 VanDerWaalsContact O-CA 3.28Å; A32-G39 WeakPolarHBondContact O-CA 3.43Å; A32-R42 HydrophobicContact CB-CB 4.21Å; A32-V46 HydrophobicContact CB-CG2 3.72Å
33L93.6Very high89.7Confident0 Ų057.5 Ų57.50%030%0.297CS..Hα-helixtrans-68.7-28.9179.8-70.6170.6000113L29 L30 N97 L98 L101L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.99Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.5Å; L33-N97 HydrophobicContact CB-CB 4.35Å; L33-N97 HydrophobicContact CD2-CB 3.82Å; L33-N97 PolarHBondContact O-ND2 2.89Å; L33-L98 HydrophobicContact CD1-CB 4.08Å; L33-L98 HydrophobicContact CD1-CD1 3.81Å; L33-L101 HydrophobicContact CD1-CD2 4.3Å; L33-L101 HydrophobicContact CD2-CB 4.17Å; L33-L101 HydrophobicContact CD2-CD2 3.98Å
34Q92.7Very high90Very high75 Ų7554.4 Ų54.435%0.3528%0.284SS..THydrogen-bonded Turntrans-83.8-8175.466.5-173.742.500114.1L30 Q31 A32 G36 C94L30-Q34 WeakPolarHBondContact O-CG 3.44Å; L30-Q34 PolarHBondContact O-N 3.2Å; Q31-Q34 WeakPolarHBondContact O-CG 3.48Å; A32-Q34 VanDerWaalsContact C-N 3.32Å; A32-Q34 PolarHBondContact O-N 3.34Å; Q34-G36 PolarHBondContact O-N 2.77Å; Q34-C94 HydrophobicContact CB-CB 4.3Å
35A86.8Confident90.3Very high56 Ų5653.5 Ų53.546%0.46328%0.28SS..SBendtrans-75.428.3-173.400000115A32A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.44Å
36G86.8Confident90.4Very high22 Ų2253.1 Ų53.123%0.22728%0.277CS..SBendtrans102.4-166.5178.100000114.8Q34 E38 G39 N97Q34-G36 PolarHBondContact O-N 2.77Å; G36-E38 VanDerWaalsContact C-N 3.25Å; G36-E38 PolarHBondContact O-N 3.1Å; G36-G39 PolarHBondContact O-N 2.97Å; G36-N97 PolarHBondContact O-ND2 3.22Å
37P84.7Confident90.4Very high111 Ų11153.7 Ų53.772%0.72128%0.278SS*.THydrogen-bonded Turntrans-66.8-23.2-171.726.1-34.7000114G39P37-G39 PolarHBondContact O-N 3.32Å
38E86.7Confident90.3Very high94 Ų9456.6 Ų56.644%0.43929%0.289SS..THydrogen-bonded Turntrans-83.37.9174.3-68.9-65.1142.300112.9G36 A40 R41 R42G36-E38 VanDerWaalsContact C-N 3.25Å; G36-E38 PolarHBondContact O-N 3.1Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.48Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact OE2-CD 3.34Å; E38-R41 IonicContact OE2-CZ 3.83Å; E38-R41 IonicContact OE2-NE 2.76Å; E38-R41 PolarHBondContact OE2-NE 2.82Å; E38-R42 PolarHBondContact O-N 3.38Å
39G90.4Very high90.1Very high0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-58.3-38.2-172.200000113.4A32 G36 P37 R41 R42 G43 N97A32-G39 VanDerWaalsContact O-CA 3.28Å; A32-G39 WeakPolarHBondContact O-CA 3.43Å; G36-G39 PolarHBondContact O-N 2.97Å; P37-G39 PolarHBondContact O-N 3.32Å; G39-R41 PolarHBondContact O-N 3.22Å; G39-R42 PolarHBondContact O-N 3.12Å; G39-G43 PolarHBondContact O-N 3.16Å; G39-N97 WeakPolarHBondContact CA-ND2 3.36Å
40A91.9Very high89.7Confident19 Ų1956.8 Ų56.816%0.15730%0.298CS..Hα-helixtrans-61.8-42.6175.400000112.2E38 G43 L44 N97 L101E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.48Å; A40-G43 PolarHBondContact O-N 2.85Å; A40-L44 PolarHBondContact O-N 3.39Å; A40-N97 HydrophobicContact CB-CB 4.33Å; A40-N97 WeakPolarHBondContact CB-O 3.35Å; A40-L101 HydrophobicContact CB-CB 4.5Å
41R89.9Confident88.9Confident179 Ų17959.4 Ų59.468%0.67532%0.324SS*.Hα-helixtrans-66.9-41.6177.5-169.1174.775.6123.212.5111.4E38 G39 L44 G45E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact OE2-CD 3.34Å; E38-R41 IonicContact OE2-CZ 3.83Å; E38-R41 IonicContact OE2-NE 2.76Å; E38-R41 PolarHBondContact OE2-NE 2.82Å; G39-R41 PolarHBondContact O-N 3.22Å; R41-L44 PolarHBondContact O-N 2.94Å; R41-G45 PolarHBondContact O-N 3.09Å
42R90.8Very high88Confident148 Ų14865.4 Ų65.456%0.55834%0.343SS*.Hα-helixtrans-63.7-43.8174.7-69.1-179.6-177.5-92.54111.5A32 E38 G39 L44 G45 V46A32-R42 HydrophobicContact CB-CB 4.21Å; E38-R42 PolarHBondContact O-N 3.38Å; G39-R42 PolarHBondContact O-N 3.12Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.84Å; R42-G45 CarbonylContact O-C 3.5Å; R42-G45 VanDerWaalsContact O-CA 3.32Å; R42-G45 WeakPolarHBondContact O-CA 3.38Å; R42-G45 PolarHBondContact O-N 3.15Å; R42-V46 PolarHBondContact O-N 3.4Å
43G92.9Very high86.8Confident0 Ų074.7 Ų74.70%038%0.375CS..Hα-helixtrans-58.8-41.517500000112.4G39 A40 G45 V46 L47G39-G43 PolarHBondContact O-N 3.16Å; A40-G43 PolarHBondContact O-N 2.85Å; G43-G45 VanDerWaalsContact C-N 3.3Å; G43-G45 PolarHBondContact O-N 3.04Å; G43-V46 WeakPolarHBondContact O-CB 3.28Å; G43-V46 PolarHBondContact O-N 2.85Å; G43-V46 VanDerWaalsContact O-N 3.15Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.32Å
44L91.6Very high85Confident41 Ų4178.2 Ų78.222%0.21541%0.412CS..Hα-helixtrans-62.3-37.6172.1-170.866000112.2A40 R41 R42 L47 R48 L101 V105A40-L44 PolarHBondContact O-N 3.39Å; R41-L44 PolarHBondContact O-N 2.94Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.84Å; L44-L47 PolarHBondContact O-N 3.15Å; L44-R48 VanDerWaalsContact CD2-NH2 3.35Å; L44-R48 VanDerWaalsContact O-CG 3.28Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å; L44-L101 HydrophobicContact CB-CD1 3.98Å; L44-L101 HydrophobicContact CD1-CD1 4.3Å; L44-V105 HydrophobicContact CD1-CG1 3.74Å
45G90.3Very high83.4Confident33 Ų3383.8 Ų83.834%0.3443%0.43SS..Hα-helixtrans-59.9-44.1171.100000112.8R41 R42 G43 R48 A49R41-G45 PolarHBondContact O-N 3.09Å; R42-G45 CarbonylContact O-C 3.5Å; R42-G45 VanDerWaalsContact O-CA 3.32Å; R42-G45 WeakPolarHBondContact O-CA 3.38Å; R42-G45 PolarHBondContact O-N 3.15Å; G43-G45 VanDerWaalsContact C-N 3.3Å; G43-G45 PolarHBondContact O-N 3.04Å; G45-R48 PolarHBondContact O-N 3.03Å; G45-A49 WeakPolarHBondContact O-CB 3.3Å; G45-A49 PolarHBondContact O-N 3.48Å
46V90.6Very high82.3Confident35 Ų3588.9 Ų88.921%0.21244%0.444CS..Hα-helixtrans-60.2-48.4175.4173.40000110.9L28 A32 R42 G43 R48 A49 L50L28-V46 HydrophobicContact CB-CG1 4.29Å; A32-V46 HydrophobicContact CB-CG2 3.72Å; R42-V46 PolarHBondContact O-N 3.4Å; G43-V46 WeakPolarHBondContact O-CB 3.28Å; G43-V46 PolarHBondContact O-N 2.85Å; G43-V46 VanDerWaalsContact O-N 3.15Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.33Å; V46-A49 PolarHBondContact O-N 2.87Å; V46-A49 VanDerWaalsContact O-N 3.13Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.31Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å
47L89.9Confident81.7Confident22 Ų2293.6 Ų93.612%0.11547%0.471CS..Hα-helixtrans-60-40.8178.1-67.4170.1000112.3L29 G43 L44 L50 G51 F58 W60 L101 V105L29-L47 HydrophobicContact CD1-CD1 4.5Å; L29-L47 HydrophobicContact CD1-CD2 4.37Å; L29-L47 HydrophobicContact CD1-CG 4.1Å; L29-L47 HydrophobicContact CD2-CD2 4.36Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.32Å; L44-L47 PolarHBondContact O-N 3.15Å; L47-L50 PolarHBondContact O-N 3.22Å; L47-G51 PolarHBondContact O-N 3.43Å; L47-F58 HydrophobicContact CD2-CB 3.91Å; L47-F58 HydrophobicContact CD2-CD1 3.77Å; L47-F58 HydrophobicContact CD2-CD2 3.78Å; L47-F58 HydrophobicContact CD2-CE1 4.23Å; L47-F58 HydrophobicContact CD2-CE2 4.23Å; L47-F58 HydrophobicContact CD2-CG 3.52Å; L47-F58 HydrophobicContact CD2-CZ 4.44Å; L47-W60 HydrophobicContact CD1-CH2 3.81Å; L47-W60 HydrophobicContact CD1-CZ2 3.47Å; L47-W60 VanDerWaalsContact CD1-CZ2 3.47Å; L47-W60 HydrophobicContact CD2-CH2 4.38Å; L47-W60 HydrophobicContact CD2-CZ2 3.96Å; L47-W60 HydrophobicContact CG-CZ2 4.37Å; L47-L101 HydrophobicContact CD1-CD1 4.06Å; L47-L101 HydrophobicContact CD1-CD2 4.19Å; L47-L101 HydrophobicContact CD1-CG 4.47Å; L47-V105 HydrophobicContact CD1-CG1 3.93Å
48R88.7Confident81.8Confident157 Ų15790.2 Ų90.259%0.59245%0.445SS*.Hα-helixtrans-65.3-40175-71.2170.6-176.5175.20.9112L44 G45 V46 G51 R52L44-R48 VanDerWaalsContact CD2-NH2 3.35Å; L44-R48 VanDerWaalsContact O-CG 3.28Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å; G45-R48 PolarHBondContact O-N 3.03Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.33Å; R48-G51 PolarHBondContact O-N 3.16Å; R48-R52 WeakPolarHBondContact O-CG 3.34Å; R48-R52 PolarHBondContact O-N 2.86Å
49A85.6Confident81.9Confident52 Ų5289.4 Ų89.443%0.4344%0.444SS..Hα-helixtrans-66.6-40.6177.900000111.8G45 V46 R52G45-A49 WeakPolarHBondContact O-CB 3.3Å; G45-A49 PolarHBondContact O-N 3.48Å; V46-A49 PolarHBondContact O-N 2.87Å; V46-A49 VanDerWaalsContact O-N 3.13Å; A49-R52 PolarHBondContact O-N 3.14Å
50L82.9Confident81.9Confident40 Ų4090.1 Ų90.121%0.20945%0.446CS..Hα-helixtrans-62.4-43.9173.8-68.6172000111.1P25 V46 L47 R52 R53 F58P25-L50 HydrophobicContact CB-CD1 4.08Å; V46-L50 HydrophobicContact CG1-CD1 3.91Å; V46-L50 HydrophobicContact CG1-CG 4.31Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å; L47-L50 PolarHBondContact O-N 3.22Å; L50-R52 PolarHBondContact O-N 3.43Å; L50-R53 PolarHBondContact O-N 3.15Å; L50-F58 HydrophobicContact CD1-CD2 3.97Å; L50-F58 HydrophobicContact CD1-CE2 4.37Å
51G76.9Confident81.8Confident54 Ų5490.6 Ų90.656%0.55745%0.454SS*.Hα-helixtrans-67.6-29.6177.800000114.9L47 R48 R53L47-G51 PolarHBondContact O-N 3.43Å; R48-G51 PolarHBondContact O-N 3.16Å; G51-R53 VanDerWaalsContact C-N 3.34Å
52R72.5Confident81.8Confident224 Ų22488.9 Ų88.985%0.84545%0.447SS*.Hα-helixtrans-74.5-20.8178.6-78178.9-176.3-1142.9114R48 A49 L50 G54R48-R52 WeakPolarHBondContact O-CG 3.34Å; R48-R52 PolarHBondContact O-N 2.86Å; A49-R52 PolarHBondContact O-N 3.14Å; L50-R52 PolarHBondContact O-N 3.43Å; R52-G54 PolarHBondContact O-N 3.17Å
53R66.8Low81.8Confident206 Ų20682 Ų8278%0.77742%0.421SS*.THydrogen-bonded Turntrans-83.17.2-177.9-73.7-174.2177.5-170.70113.9L50 G51 W55L50-R53 PolarHBondContact O-N 3.15Å; G51-R53 VanDerWaalsContact C-N 3.34Å; R53-W55 PolarHBondContact O-N 3.27Å
54G55.6Low81.8Confident75 Ų7582 Ų8277%0.77342%0.421SS*.THydrogen-bonded Turntrans70.317.6-178.800000113.7R52R52-G54 PolarHBondContact O-N 3.17Å
55W59.2Low81.8Confident191 Ų19186.9 Ų86.972%0.72344%0.443SS*.PPolyproline II helixtrans-74154.1172-135.9-73.5000110R53R53-W55 PolarHBondContact O-N 3.27Å
56E63.8Low81.8Confident163 Ų16386.4 Ų86.476%0.76244%0.436SS*.PPolyproline II helixtrans-50.2151.4169.6-69.9-177163.700111.4F58E56-F58 PolarHBondContact O-N 3.3Å
57P74.4Confident81.9Confident121 Ų12184.7 Ų84.779%0.78643%0.425SS*.PPolyproline II helixtrans-49.1140.6177.2-23.832.3000111.1D59P57-D59 PolarHBondContact O-N 3.43Å; P57-D59 VanDerWaalsContact O-N 3.13Å
58F86.4Confident81.9Confident40 Ų4085 Ų8518%0.17543%0.429CS..PPolyproline II helixtrans-55.2122.7178.3-177.7-93.3000110.3P25 L29 L47 L50 E56 W60 L63P25-F58 HydrophobicContact CB-CD2 4.16Å; P25-F58 HydrophobicContact CB-CE2 3.85Å; L29-F58 HydrophobicContact CD2-CE1 4.01Å; L29-F58 HydrophobicContact CD2-CE2 4.38Å; L29-F58 HydrophobicContact CD2-CZ 3.66Å; L47-F58 HydrophobicContact CD2-CB 3.91Å; L47-F58 HydrophobicContact CD2-CD1 3.77Å; L47-F58 HydrophobicContact CD2-CD2 3.78Å; L47-F58 HydrophobicContact CD2-CE1 4.23Å; L47-F58 HydrophobicContact CD2-CE2 4.23Å; L47-F58 HydrophobicContact CD2-CG 3.52Å; L47-F58 HydrophobicContact CD2-CZ 4.44Å; L50-F58 HydrophobicContact CD1-CD2 3.97Å; L50-F58 HydrophobicContact CD1-CE2 4.37Å; E56-F58 PolarHBondContact O-N 3.3Å; F58-W60 VanDerWaalsContact C-N 3.34Å; F58-W60 AromaticContact CD1-CD2 3.62Å; F58-W60 HydrophobicContact CD1-CD2 3.62Å; F58-W60 AromaticContact CD1-CE2 3.66Å; F58-W60 HydrophobicContact CD1-CE3 4.06Å; F58-W60 AromaticContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CZ2 4.14Å; F58-W60 HydrophobicContact CD1-CZ3 4.49Å; F58-W60 AromaticContact CD1-NE1 3.95Å; F58-W60 AromaticContact CE1-CD2 3.82Å; F58-W60 HydrophobicContact CE1-CD2 3.82Å; F58-W60 AromaticContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CG 4.41Å; F58-W60 HydrophobicContact CE1-CH2 4.36Å; F58-W60 HydrophobicContact CE1-CZ2 4.43Å; F58-W60 HydrophobicContact CE1-CZ3 4.04Å; F58-W60 PolarHBondContact O-N 2.67Å; F58-L63 HydrophobicContact CE1-CB 4.25Å; F58-L63 HydrophobicContact CE1-CD2 3.78Å; F58-L63 HydrophobicContact CZ-CB 4.45Å; F58-L63 HydrophobicContact CZ-CD2 3.92Å
59D88.9Confident81.9Confident77 Ų7785.3 Ų85.341%0.41243%0.43SS..  trans-7685.2-176.4-169-18.3000110.8P57 G61 R62 L63P57-D59 PolarHBondContact O-N 3.43Å; P57-D59 VanDerWaalsContact O-N 3.13Å; D59-G61 PolarHBondContact O-N 3.18Å; D59-G61 WeakPolarHBondContact OD1-CA 3.35Å; D59-G61 PolarHBondContact OD1-N 3.01Å; D59-R62 HydrophobicContact CB-CB 4.39Å; D59-R62 PolarHBondContact OD1-N 3.36Å; D59-R62 WeakPolarHBondContact OD2-CD 3.37Å; D59-R62 WeakPolarHBondContact OD2-CG 3.46Å; D59-R62 IonicContact OD2-NE 2.65Å; D59-R62 PolarHBondContact OD2-NE 3.42Å; D59-L63 PolarHBondContact O-N 3.09Å
60W90.9Very high82Confident15 Ų1588.3 Ų88.36%0.05744%0.435CS..Hα-helixtrans-63.1-28.7174.6-72.9112.7000113L29 L47 F58 L63 L64 L101 L102 V105 L109 P110L29-W60 HydrophobicContact CD2-CH2 4.17Å; L29-W60 HydrophobicContact CD2-CZ3 4.22Å; L47-W60 HydrophobicContact CD1-CH2 3.81Å; L47-W60 HydrophobicContact CD1-CZ2 3.47Å; L47-W60 VanDerWaalsContact CD1-CZ2 3.47Å; L47-W60 HydrophobicContact CD2-CH2 4.38Å; L47-W60 HydrophobicContact CD2-CZ2 3.96Å; L47-W60 HydrophobicContact CG-CZ2 4.37Å; F58-W60 VanDerWaalsContact C-N 3.34Å; F58-W60 AromaticContact CD1-CD2 3.62Å; F58-W60 HydrophobicContact CD1-CD2 3.62Å; F58-W60 AromaticContact CD1-CE2 3.66Å; F58-W60 HydrophobicContact CD1-CE3 4.06Å; F58-W60 AromaticContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CG 3.94Å; F58-W60 HydrophobicContact CD1-CZ2 4.14Å; F58-W60 HydrophobicContact CD1-CZ3 4.49Å; F58-W60 AromaticContact CD1-NE1 3.95Å; F58-W60 AromaticContact CE1-CD2 3.82Å; F58-W60 HydrophobicContact CE1-CD2 3.82Å; F58-W60 AromaticContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CE3 3.76Å; F58-W60 HydrophobicContact CE1-CG 4.41Å; F58-W60 HydrophobicContact CE1-CH2 4.36Å; F58-W60 HydrophobicContact CE1-CZ2 4.43Å; F58-W60 HydrophobicContact CE1-CZ3 4.04Å; F58-W60 PolarHBondContact O-N 2.67Å; W60-L63 HydrophobicContact CE3-CD2 3.92Å; W60-L63 HydrophobicContact CZ3-CD2 3.79Å; W60-L63 PolarHBondContact O-N 3.08Å; W60-L64 WeakPolarHBondContact O-CB 3.42Å; W60-L64 WeakPolarHBondContact O-CD1 3.44Å; W60-L64 WeakPolarHBondContact O-CG 3.44Å; W60-L64 PolarHBondContact O-N 3.43Å; W60-L101 HydrophobicContact CH2-CD2 4.11Å; W60-L101 HydrophobicContact CH2-CG 4.41Å; W60-L102 HydrophobicContact CE3-CD2 4.25Å; W60-L102 HydrophobicContact CH2-CD2 4.44Å; W60-L102 HydrophobicContact CZ3-CD2 3.79Å; W60-V105 HydrophobicContact CH2-CG2 3.61Å; W60-V105 HydrophobicContact CZ2-CB 3.99Å; W60-V105 HydrophobicContact CZ2-CG1 4.25Å; W60-V105 HydrophobicContact CZ2-CG2 3.35Å; W60-V105 HydrophobicContact CZ3-CG2 4.47Å; W60-L109 HydrophobicContact CB-CD2 3.97Å; W60-L109 HydrophobicContact CD2-CD2 3.24Å; W60-L109 HydrophobicContact CE3-CD2 3.45Å; W60-L109 VanDerWaalsContact CE3-CD2 3.45Å; W60-L109 HydrophobicContact CG-CD2 3.49Å; W60-L109 VanDerWaalsContact CG-CD2 3.49Å; W60-L109 HydrophobicContact CH2-CD2 4.37Å; W60-L109 HydrophobicContact CZ2-CD2 4.2Å; W60-L109 HydrophobicContact CZ3-CD2 4.03Å; W60-P110 HydrophobicContact CB-CG 4.42Å
61G89.4Confident81.9Confident30 Ų3087.5 Ų87.531%0.30943%0.43SS..Hα-helixtrans-61.6-54178.800000110.9D59 L63 L64 E65D59-G61 PolarHBondContact O-N 3.18Å; D59-G61 WeakPolarHBondContact OD1-CA 3.35Å; D59-G61 PolarHBondContact OD1-N 3.01Å; G61-L63 VanDerWaalsContact C-N 3.33Å; G61-L63 PolarHBondContact O-N 3.12Å; G61-L64 PolarHBondContact O-N 3.29Å; G61-E65 WeakPolarHBondContact O-CB 3.47Å; G61-E65 PolarHBondContact O-N 3.07Å
62R89.3Confident82.1Confident143 Ų14389.2 Ų89.254%0.5443%0.432SS..Hα-helixtrans-59.2-41.7177.2-76.3-178.6-163-139.5-5.8113E23 D59 A66E23-R62 IonicContact OE1-CZ 2.61Å; E23-R62 IonicContact OE1-NH1 2.9Å; E23-R62 PolarHBondContact OE1-NH1 3.09Å; D59-R62 HydrophobicContact CB-CB 4.39Å; D59-R62 PolarHBondContact OD1-N 3.36Å; D59-R62 WeakPolarHBondContact OD2-CD 3.37Å; D59-R62 WeakPolarHBondContact OD2-CG 3.46Å; D59-R62 IonicContact OD2-NE 2.65Å; D59-R62 PolarHBondContact OD2-NE 3.42Å; R62-A66 VanDerWaalsContact O-CB 3.26Å; R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.94Å
63L92.1Very high82.4Confident4 Ų479.9 Ų79.92%0.02140%0.399CS..Hα-helixtrans-64.8-49.4179.3177.768.2000111.4L22 A26 L29 F58 D59 W60 G61 E65 A66 L67L22-L63 HydrophobicContact CD1-CD1 4.42Å; A26-L63 HydrophobicContact CB-CD1 3.86Å; L29-L63 HydrophobicContact CD2-CD2 3.8Å; F58-L63 HydrophobicContact CE1-CB 4.25Å; F58-L63 HydrophobicContact CE1-CD2 3.78Å; F58-L63 HydrophobicContact CZ-CB 4.45Å; F58-L63 HydrophobicContact CZ-CD2 3.92Å; D59-L63 PolarHBondContact O-N 3.09Å; W60-L63 HydrophobicContact CE3-CD2 3.92Å; W60-L63 HydrophobicContact CZ3-CD2 3.79Å; W60-L63 PolarHBondContact O-N 3.08Å; G61-L63 VanDerWaalsContact C-N 3.33Å; G61-L63 PolarHBondContact O-N 3.12Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.24Å; L63-A66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.87Å
64L92.5Very high83Confident0 Ų074.6 Ų74.60%039%0.39CS..Hα-helixtrans-64.5-38.8-177.6-66.9168.8000111W60 G61 L67 C68 L102 P110 V117W60-L64 WeakPolarHBondContact O-CB 3.42Å; W60-L64 WeakPolarHBondContact O-CD1 3.44Å; W60-L64 WeakPolarHBondContact O-CG 3.44Å; W60-L64 PolarHBondContact O-N 3.43Å; G61-L64 PolarHBondContact O-N 3.29Å; L64-L67 HydrophobicContact CD2-CD1 4.43Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-C68 PolarHBondContact O-N 3.29Å; L64-C68 VanDerWaalsContact O-N 3.16Å; L64-C68 PolarHBondContact O-SG 3.3Å; L64-L102 HydrophobicContact CD2-CD1 4.47Å; L64-L102 HydrophobicContact CD2-CD2 4.14Å; L64-P110 HydrophobicContact CD1-CG 3.71Å; L64-V117 HydrophobicContact CB-CG2 4.23Å; L64-V117 HydrophobicContact CD2-CB 4.38Å; L64-V117 HydrophobicContact CD2-CG2 3.67Å
65E91.8Very high83.8Confident143 Ų14374 Ų7467%0.66837%0.367SS*.Hα-helixtrans-61.8-47172.9-173.9177.3-176.800111.5G61 L63 L67 C68 R69G61-E65 WeakPolarHBondContact O-CB 3.47Å; G61-E65 PolarHBondContact O-N 3.07Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.24Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.49Å; E65-C68 PolarHBondContact O-N 3.08Å; E65-R69 PolarHBondContact O-N 3.13Å
66A90.7Very high84.2Confident22 Ų2267.7 Ų67.718%0.18236%0.361CS..Hα-helixtrans-63.8-35.6178.700000112.8L22 R62 L63 C68 R69L22-A66 HydrophobicContact CD2-CB 3.49Å; L22-A66 VanDerWaalsContact CD2-CB 3.49Å; R62-A66 VanDerWaalsContact O-CB 3.26Å; R62-A66 WeakPolarHBondContact O-CB 3.47Å; R62-A66 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 3.43Å; A66-C68 VanDerWaalsContact C-N 3.26Å; A66-C68 PolarHBondContact O-N 3.13Å; A66-R69 WeakPolarHBondContact O-CB 3.47Å; A66-R69 PolarHBondContact O-N 3.25Å
67L91.2Very high84.1Confident0 Ų066.3 Ų66.30%037%0.366CS..Hα-helixtrans-64.8-31.9173.7-73169.1000112.6L63 L64 E65 L86 L87 L90 L98 V117L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.36Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.87Å; L64-L67 HydrophobicContact CD2-CD1 4.43Å; L64-L67 PolarHBondContact O-N 3.43Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.49Å; L67-L86 PolarHBondContact O-N 2.95Å; L67-L87 HydrophobicContact CB-CB 4.44Å; L67-L87 HydrophobicContact CD2-CD1 4.44Å; L67-L87 WeakPolarHBondContact O-CB 3.41Å; L67-L87 PolarHBondContact O-N 2.84Å; L67-L90 HydrophobicContact CD2-CD1 3.82Å; L67-L98 HydrophobicContact CD1-CD1 4.5Å; L67-L98 HydrophobicContact CD1-CD2 3.75Å; L67-L98 HydrophobicContact CD2-CD2 4.24Å; L67-V117 HydrophobicContact CB-CG2 4.26Å
68C90.5Very high83.9Confident27 Ų2767 Ų6718%0.18236%0.364CS..Hα-helixtrans-82.6-14.7177.9-620000113.3L64 E65 A66 E70 S116 V117 I120L64-C68 PolarHBondContact O-N 3.29Å; L64-C68 VanDerWaalsContact O-N 3.16Å; L64-C68 PolarHBondContact O-SG 3.3Å; E65-C68 PolarHBondContact O-N 3.08Å; A66-C68 VanDerWaalsContact C-N 3.26Å; A66-C68 PolarHBondContact O-N 3.13Å; C68-E70 PolarHBondContact O-N 3.35Å; C68-S116 VanDerWaalsContact SG-CB 3.56Å; C68-V117 VanDerWaalsContact SG-CG2 3.54Å; C68-I120 VanDerWaalsContact CA-CD1 3.47Å; C68-I120 HydrophobicContact CB-CD1 3.54Å
69R89.1Confident83.3Confident164 Ų16467.1 Ų67.162%0.61938%0.376SS*.  trans-65.2127-177-175.1174.6172.4166.4-4.3110.6E65 A66 P85 L86E65-R69 PolarHBondContact O-N 3.13Å; A66-R69 WeakPolarHBondContact O-CB 3.47Å; A66-R69 PolarHBondContact O-N 3.25Å; R69-P85 WeakPolarHBondContact O-CA 3.47Å; R69-L86 PolarHBondContact O-N 3.42Å
70E86.6Confident82.8Confident116 Ų11671.8 Ų71.854%0.54239%0.387SS..EExtended strand (participates in β ladder)trans-74.1130.6174.2-69.6-175.717200111.1C68 L83 P85C68-E70 PolarHBondContact O-N 3.35Å; E70-L83 HydrophobicContact CB-CB 4.17Å; E70-P85 HydrophobicContact CG-CG 4.21Å
71E82.2Confident82.3Confident23 Ų2377.2 Ų77.211%0.10742%0.417CS..EExtended strand (participates in β ladder)trans-121.3142.1176.1-65.7-176.4159.300110.1V73 K84 R89E71-V73 PolarHBondContact O-N 3.37Å; E71-K84 PolarHBondContact N-O 3.42Å; E71-K84 PolarHBondContact O-N 3.04Å; E71-R89 IonicContact OE2-CZ 2.93Å; E71-R89 IonicContact OE2-NH1 2.94Å; E71-R89 PolarHBondContact OE2-NH1 3.15Å
72P80.6Confident82Confident90 Ų9080 Ų8058%0.58442%0.422SS*.EExtended strand (participates in β ladder)trans-69124.5176.728.1-32.6000110.3L81 L83P72-L81 HydrophobicContact CB-CD2 4.01Å; P72-L83 HydrophobicContact CB-CD2 4.25Å
73V79.6Confident81.7Confident27 Ų2778.3 Ų78.316%0.16442%0.423CS..EExtended strand (participates in β ladder)trans-125134.3177.6-1770000108.9E71 E82 K84 R89E71-V73 PolarHBondContact O-N 3.37Å; V73-E82 PolarHBondContact N-O 3.08Å; V73-E82 PolarHBondContact O-N 2.89Å; V73-K84 HydrophobicContact CG2-CB 4.01Å; V73-R89 HydrophobicContact CG2-CG 4.21Å
74V78.9Confident81.5Confident95 Ų9581.4 Ų81.458%0.57644%0.436SS*.EExtended strand (participates in β ladder)trans-84.9122.5174.3-175.90000108.5R80 L81V74-R80 CarbonylContact C-O 3.58Å; V74-R80 WeakPolarHBondContact CA-O 3.48Å; V74-L81 HydrophobicContact CG2-CD2 3.92Å; V74-L81 HydrophobicContact CG2-CG 4.31Å
75Q72.5Confident81.3Confident62 Ų6281.9 Ų81.929%0.2944%0.44SS..EExtended strand (participates in β ladder)trans-116.9139.5179.5-88.2-177.485.900113.2R80 E82Q75-R80 PolarHBondContact N-O 3.34Å; Q75-R80 PolarHBondContact O-N 3Å; Q75-E82 PolarHBondContact NE2-OE2 3.12Å
76G66.5Low81.2Confident59 Ų5975.2 Ų75.261%0.60841%0.408SS*.THydrogen-bonded Turntrans74.3169.7174.200000114.3D78 G79G76-D78 PolarHBondContact O-N 2.89Å; G76-G79 PolarHBondContact O-N 2.81Å
77P62.1Low81.2Confident134 Ų13474.1 Ų74.187%0.8740%0.4SS*.THydrogen-bonded Turntrans-64.3-18176.927-34000113.1G79P77-G79 VanDerWaalsContact C-N 3.33Å
78D71Confident81Confident137 Ų13776.1 Ų76.173%0.73341%0.41SS*.THydrogen-bonded Turntrans-84.3-3.1-179.1-57.9-28.6000113.7G76 R80G76-D78 PolarHBondContact O-N 2.89Å; D78-R80 PolarHBondContact O-N 3.3Å
79G73.1Confident80.8Confident41 Ų4178.8 Ų78.842%0.42342%0.416SS..THydrogen-bonded Turntrans68.629.4174.300000115.2G76 P77 L81G76-G79 PolarHBondContact O-N 2.81Å; P77-G79 VanDerWaalsContact C-N 3.33Å; G79-L81 PolarHBondContact O-N 3.47Å
80R78.3Confident80.8Confident175 Ų17571.2 Ų71.266%0.6639%0.388SS*.EExtended strand (participates in β ladder)trans-72.6126.4-179.4-72.9-172.1176.8-163.6-0111.1V74 Q75 D78V74-R80 CarbonylContact C-O 3.58Å; V74-R80 WeakPolarHBondContact CA-O 3.48Å; Q75-R80 PolarHBondContact N-O 3.34Å; Q75-R80 PolarHBondContact O-N 3Å; D78-R80 PolarHBondContact O-N 3.3Å
81L80.8Confident80.8Confident130 Ų13068.5 Ų68.568%0.68138%0.38SS*.EExtended strand (participates in β ladder)trans-79.5118.6173.1-83.7155000110P72 V74 G79P72-L81 HydrophobicContact CB-CD2 4.01Å; V74-L81 HydrophobicContact CG2-CD2 3.92Å; V74-L81 HydrophobicContact CG2-CG 4.31Å; G79-L81 PolarHBondContact O-N 3.47Å
82E82.9Confident81.1Confident88 Ų8871 Ų7141%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-123141.5173.8-68.7-174.9-176.400110V73 Q75V73-E82 PolarHBondContact N-O 3.08Å; V73-E82 PolarHBondContact O-N 2.89Å; Q75-E82 PolarHBondContact NE2-OE2 3.12Å
83L83.8Confident81.5Confident108 Ų10869.7 Ų69.757%0.56538%0.379SS*.EExtended strand (participates in β ladder)trans-81.9120.6173.6-70.7174.8000108.9E70 P72E70-L83 HydrophobicContact CB-CB 4.17Å; P72-L83 HydrophobicContact CB-CD2 4.25Å
84K86Confident82.1Confident68 Ų6868.4 Ų68.430%0.29637%0.371SS..EExtended strand (participates in β ladder)trans-125.4131177.2-81.4-173.6159.4171.10110.7E71 V73 R89E71-K84 PolarHBondContact N-O 3.42Å; E71-K84 PolarHBondContact O-N 3.04Å; V73-K84 HydrophobicContact CG2-CB 4.01Å; K84-R89 HydrophobicContact CB-CG 4.41Å
85P89.7Confident82.6Confident11 Ų1164 Ų647%0.07135%0.345CS..EExtended strand (participates in β ladder)trans-56.6142.1171.5-27.936.4000112.5R69 E70 L87 L88 R89 I120R69-P85 WeakPolarHBondContact O-CA 3.47Å; E70-P85 HydrophobicContact CG-CG 4.21Å; P85-L87 PolarHBondContact O-N 3.2Å; P85-L87 VanDerWaalsContact O-N 3.14Å; P85-L88 PolarHBondContact O-N 3.05Å; P85-R89 PolarHBondContact O-N 3.47Å; P85-I120 HydrophobicContact CB-CD1 4.08Å; P85-I120 HydrophobicContact CB-CG2 3.6Å; P85-I120 HydrophobicContact CG-CD1 4.15Å; P85-I120 HydrophobicContact CG-CG1 4.35Å; P85-I120 HydrophobicContact CG-CG2 3.72Å
86L89.6Confident83.5Confident2 Ų265.6 Ų65.61%0.0135%0.348CS..Hα-helixtrans-52.8-38179.1177.661.6000112.2P18 L22 L67 R69 L88 R89 L90P18-L86 HydrophobicContact CB-CD1 3.87Å; L22-L86 HydrophobicContact CD1-CD2 4.15Å; L22-L86 HydrophobicContact CD2-CD2 4.18Å; L22-L86 HydrophobicContact CG-CD2 4.41Å; L67-L86 PolarHBondContact O-N 2.95Å; R69-L86 PolarHBondContact O-N 3.42Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.71Å; L86-R89 WeakPolarHBondContact O-CB 3.44Å; L86-R89 PolarHBondContact O-N 3.07Å; L86-L90 PolarHBondContact O-N 2.69Å
87L90Very high84.8Confident0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-51.6-44.7176.6-179.764000112.9L67 P85 R89 L90 Q95 L98 M99 V117 I120 A121L67-L87 HydrophobicContact CB-CB 4.44Å; L67-L87 HydrophobicContact CD2-CD1 4.44Å; L67-L87 WeakPolarHBondContact O-CB 3.41Å; L67-L87 PolarHBondContact O-N 2.84Å; P85-L87 PolarHBondContact O-N 3.2Å; P85-L87 VanDerWaalsContact O-N 3.14Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.3Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.02Å; L87-Q95 PolarHBondContact O-NE2 3.35Å; L87-L98 HydrophobicContact CD1-CD2 3.67Å; L87-M99 HydrophobicContact CD1-CE 4.2Å; L87-M99 HydrophobicContact CD2-CE 4.14Å; L87-V117 HydrophobicContact CD2-CG1 3.89Å; L87-V117 WeakPolarHBondContact CD2-O 3.4Å; L87-I120 HydrophobicContact CB-CG2 4.28Å; L87-I120 HydrophobicContact CD2-CB 4.23Å; L87-I120 HydrophobicContact CD2-CG2 3.96Å; L87-A121 HydrophobicContact CD2-CB 4.07Å
88L87.3Confident86.3Confident41 Ų4156.9 Ų56.922%0.21528%0.28CS..Hα-helixtrans-77.8-15.3-177.8-60-176.6000112.6P85 L86 I120 D124P85-L88 PolarHBondContact O-N 3.05Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.71Å; L88-I120 HydrophobicContact CD1-CG2 4.16Å; L88-I120 HydrophobicContact CD2-CG2 4.26Å; L88-I120 HydrophobicContact CG-CG2 3.89Å; L88-D124 HydrophobicContact CD2-CB 4.47Å
89R86.6Confident87.2Confident84 Ų8450.4 Ų50.432%0.31725%0.246SC..Hα-helixtrans-82.6-15.5172.6-58.1-173.866.8-169.53.6112.7P18 E71 V73 K84 P85 L86 L87P18-R89 HydrophobicContact CB-CB 4.32Å; P18-R89 HydrophobicContact CG-CB 4.32Å; E71-R89 IonicContact OE2-CZ 2.93Å; E71-R89 IonicContact OE2-NH1 2.94Å; E71-R89 PolarHBondContact OE2-NH1 3.15Å; V73-R89 HydrophobicContact CG2-CG 4.21Å; K84-R89 HydrophobicContact CB-CG 4.41Å; P85-R89 PolarHBondContact O-N 3.47Å; L86-R89 WeakPolarHBondContact O-CB 3.44Å; L86-R89 PolarHBondContact O-N 3.07Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.3Å
90L87.9Confident88.1Confident5 Ų550.2 Ų50.23%0.02624%0.238CC..SBendtrans-69.8147.3179-60.6-178.1000111W19 L30 L67 L86 L87 Q92 C94 Q95 L98W19-L90 HydrophobicContact CD2-CD2 4.23Å; W19-L90 HydrophobicContact CE3-CD2 3.29Å; W19-L90 HydrophobicContact CZ3-CD2 3.63Å; L30-L90 HydrophobicContact CD1-CD2 4.43Å; L30-L90 HydrophobicContact CD2-CD1 4.05Å; L67-L90 HydrophobicContact CD2-CD1 3.82Å; L86-L90 PolarHBondContact O-N 2.69Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.02Å; L90-Q92 PolarHBondContact O-N 3.39Å; L90-C94 HydrophobicContact CB-CB 4.4Å; L90-Q95 HydrophobicContact CB-CG 3.87Å; L90-Q95 PolarHBondContact O-NE2 3.19Å; L90-L98 HydrophobicContact CD1-CD2 4.39Å
91P88.5Confident88.8Confident58 Ų5842 Ų4238%0.37721%0.207SC..  trans-54.1141.9170.4-25.333.8000111.6W19 I93 C94 Q95W19-P91 HydrophobicContact CH2-CG 4.42Å; P91-I93 HydrophobicContact CB-CG2 4.25Å; P91-I93 PolarHBondContact O-N 3.08Å; P91-I93 VanDerWaalsContact O-N 3.14Å; P91-C94 HydrophobicContact CB-CB 4.31Å; P91-C94 WeakPolarHBondContact O-CA 3.21Å; P91-C94 VanDerWaalsContact O-CB 3.23Å; P91-C94 WeakPolarHBondContact O-CB 3.33Å; P91-C94 PolarHBondContact O-N 3.22Å; P91-Q95 PolarHBondContact O-N 2.97Å
92Q87.7Confident89.3Confident77 Ų7735.8 Ų35.836%0.3618%0.175SC..Hα-helixtrans-52.6-40.2-177.7-76.4-67.9-15.600113.2L90 C94 Q95 R96 L133L90-Q92 PolarHBondContact O-N 3.39Å; Q92-C94 VanDerWaalsContact C-N 3.31Å; Q92-C94 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 2.74Å; Q92-R96 WeakPolarHBondContact O-CG 3.1Å; Q92-R96 PolarHBondContact O-N 3.11Å; Q92-L133 VanDerWaalsContact OE1-CD1 3.29Å
93I88.7Confident89.6Confident61 Ų6134.5 Ų34.531%0.31317%0.169SC..Hα-helixtrans-62.6-37.9175.7-170.359.8000112.5P91 R96 N97P91-I93 HydrophobicContact CB-CG2 4.25Å; P91-I93 PolarHBondContact O-N 3.08Å; P91-I93 VanDerWaalsContact O-N 3.14Å; I93-R96 PolarHBondContact O-N 3.1Å; I93-N97 WeakPolarHBondContact O-CB 3.48Å; I93-N97 VanDerWaalsContact O-CG 3.24Å; I93-N97 PolarHBondContact O-N 2.84Å; I93-N97 PolarHBondContact O-ND2 3.27Å
94C91.5Very high89.8Confident0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-67.2-42.7176.8-172.70000110.4Q34 L90 P91 Q92 N97 L98Q34-C94 HydrophobicContact CB-CB 4.3Å; L90-C94 HydrophobicContact CB-CB 4.4Å; P91-C94 HydrophobicContact CB-CB 4.31Å; P91-C94 WeakPolarHBondContact O-CA 3.21Å; P91-C94 VanDerWaalsContact O-CB 3.23Å; P91-C94 WeakPolarHBondContact O-CB 3.33Å; P91-C94 PolarHBondContact O-N 3.22Å; Q92-C94 VanDerWaalsContact C-N 3.31Å; Q92-C94 PolarHBondContact O-N 3.45Å; C94-N97 PolarHBondContact O-N 2.98Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 3.23Å
95Q91.1Very high89.9Confident4 Ų429.9 Ų29.92%0.01916%0.158CC..Hα-helixtrans-60.4-46.9175-60.5-17735.300111.7L87 L90 P91 Q92 N97 L98 M99 L133L87-Q95 PolarHBondContact O-NE2 3.35Å; L90-Q95 HydrophobicContact CB-CG 3.87Å; L90-Q95 PolarHBondContact O-NE2 3.19Å; P91-Q95 PolarHBondContact O-N 2.97Å; Q92-Q95 PolarHBondContact O-N 2.74Å; Q95-N97 PolarHBondContact O-N 3.46Å; Q95-L98 WeakPolarHBondContact O-CB 3.16Å; Q95-L98 PolarHBondContact O-N 3.48Å; Q95-M99 WeakPolarHBondContact O-CG 3.46Å; Q95-M99 PolarHBondContact O-N 2.97Å; Q95-L133 HydrophobicContact CB-CD1 3.93Å; Q95-L133 HydrophobicContact CB-CD2 3.86Å
96R90.7Very high89.6Confident94 Ų9432.6 Ų32.636%0.35517%0.167SC..Hα-helixtrans-61.6-44.1179-69.7175.9-174.5169.72.8111.7Q92 I93 M99 S100 D130 L133Q92-R96 WeakPolarHBondContact O-CG 3.1Å; Q92-R96 PolarHBondContact O-N 3.11Å; I93-R96 PolarHBondContact O-N 3.1Å; R96-M99 PolarHBondContact O-N 3.24Å; R96-S100 WeakPolarHBondContact O-CB 3.28Å; R96-S100 PolarHBondContact O-N 3.49Å; R96-S100 PolarHBondContact O-OG 3.39Å; R96-D130 IonicContact CZ-OD2 3.91Å; R96-D130 IonicContact NE-OD1 3.72Å; R96-D130 PolarHBondContact NE-OD1 3.17Å; R96-D130 IonicContact NE-OD2 2.66Å; R96-D130 PolarHBondContact NE-OD2 2.92Å; R96-D130 IonicContact NH2-OD2 3.73Å; R96-D130 PolarHBondContact NH2-OD2 3.46Å; R96-L133 HydrophobicContact CB-CD2 4.39Å; R96-L133 HydrophobicContact CG-CD2 3.95Å; R96-L133 HydrophobicContact CG-CG 4.02Å
97N93.4Very high89.2Confident10 Ų1038.5 Ų38.55%0.05321%0.205CC..Hα-helixtrans-67.4-37.7177.4-74.2-23000111.9L33 G36 G39 A40 I93 C94 Q95 S100 L101L33-N97 HydrophobicContact CB-CB 4.35Å; L33-N97 HydrophobicContact CD2-CB 3.82Å; L33-N97 PolarHBondContact O-ND2 2.89Å; G36-N97 PolarHBondContact O-ND2 3.22Å; G39-N97 WeakPolarHBondContact CA-ND2 3.36Å; A40-N97 HydrophobicContact CB-CB 4.33Å; A40-N97 WeakPolarHBondContact CB-O 3.35Å; I93-N97 WeakPolarHBondContact O-CB 3.48Å; I93-N97 VanDerWaalsContact O-CG 3.24Å; I93-N97 PolarHBondContact O-N 2.84Å; I93-N97 PolarHBondContact O-ND2 3.27Å; C94-N97 PolarHBondContact O-N 2.98Å; Q95-N97 PolarHBondContact O-N 3.46Å; N97-S100 PolarHBondContact O-N 3.14Å; N97-L101 WeakPolarHBondContact O-CB 3.43Å; N97-L101 PolarHBondContact O-N 3.13Å
98L93.5Very high88.8Confident0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-61.2-51.3175.1176.964.2000110.3L33 L67 L87 L90 C94 Q95 S100 L101 L102L33-L98 HydrophobicContact CD1-CB 4.08Å; L33-L98 HydrophobicContact CD1-CD1 3.81Å; L67-L98 HydrophobicContact CD1-CD1 4.5Å; L67-L98 HydrophobicContact CD1-CD2 3.75Å; L67-L98 HydrophobicContact CD2-CD2 4.24Å; L87-L98 HydrophobicContact CD1-CD2 3.67Å; L90-L98 HydrophobicContact CD1-CD2 4.39Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 3.23Å; Q95-L98 WeakPolarHBondContact O-CB 3.16Å; Q95-L98 PolarHBondContact O-N 3.48Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.08Å; L98-L101 WeakPolarHBondContact O-CB 3.43Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L98-L102 HydrophobicContact CD1-CD1 4.39Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.2Å; L98-L102 PolarHBondContact O-N 2.66Å
99M91Very high88.8Confident1 Ų140.8 Ų40.81%0.00522%0.223CC..Hα-helixtrans-59.6-39.7177.6-65.4-60.6161.200111.9L87 Q95 R96 L102 M103 V117 L118 A121 L133 L136 L140L87-M99 HydrophobicContact CD1-CE 4.2Å; L87-M99 HydrophobicContact CD2-CE 4.14Å; Q95-M99 WeakPolarHBondContact O-CG 3.46Å; Q95-M99 PolarHBondContact O-N 2.97Å; R96-M99 PolarHBondContact O-N 3.24Å; M99-L102 PolarHBondContact O-N 2.84Å; M99-L102 HydrophobicContact SD-CD1 4.23Å; M99-M103 PolarHBondContact O-N 2.61Å; M99-M103 VanDerWaalsContact O-N 3.09Å; M99-V117 HydrophobicContact CE-CG1 3.75Å; M99-L118 HydrophobicContact SD-CD2 4.27Å; M99-A121 HydrophobicContact CE-CB 3.77Å; M99-L133 HydrophobicContact CB-CD2 4.47Å; M99-L133 HydrophobicContact CG-CD2 3.76Å; M99-L136 HydrophobicContact CB-CB 3.95Å; M99-L136 HydrophobicContact CB-CD1 3.8Å; M99-L140 HydrophobicContact SD-CD1 4.1Å
100S91.4Very high88.9Confident38 Ų3838.9 Ų38.927%0.26622%0.222SC..Hα-helixtrans-65.5-37.7175.5-57.20000112.6R96 N97 L98 M103 A104R96-S100 WeakPolarHBondContact O-CB 3.28Å; R96-S100 PolarHBondContact O-N 3.49Å; R96-S100 PolarHBondContact O-OG 3.39Å; N97-S100 PolarHBondContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.08Å; S100-M103 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.48Å
101L93.1Very high88.8Confident2 Ų244.5 Ų44.51%0.0125%0.248CC..Hα-helixtrans-68.6-43.6175177.566.6000111.4L29 L33 A40 L44 L47 W60 N97 L98 M103 A104 V105L29-L101 HydrophobicContact CD1-CD2 3.74Å; L29-L101 HydrophobicContact CD2-CD2 4.19Å; L29-L101 HydrophobicContact CG-CD2 4.27Å; L33-L101 HydrophobicContact CD1-CD2 4.3Å; L33-L101 HydrophobicContact CD2-CB 4.17Å; L33-L101 HydrophobicContact CD2-CD2 3.98Å; A40-L101 HydrophobicContact CB-CB 4.5Å; L44-L101 HydrophobicContact CB-CD1 3.98Å; L44-L101 HydrophobicContact CD1-CD1 4.3Å; L47-L101 HydrophobicContact CD1-CD1 4.06Å; L47-L101 HydrophobicContact CD1-CD2 4.19Å; L47-L101 HydrophobicContact CD1-CG 4.47Å; W60-L101 HydrophobicContact CH2-CD2 4.11Å; W60-L101 HydrophobicContact CH2-CG 4.41Å; N97-L101 WeakPolarHBondContact O-CB 3.43Å; N97-L101 PolarHBondContact O-N 3.13Å; L98-L101 WeakPolarHBondContact O-CB 3.43Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L101-M103 PolarHBondContact O-N 2.9Å; L101-A104 WeakPolarHBondContact O-CA 3.34Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.5Å; L101-V105 HydrophobicContact CD1-CG1 4.09Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.24Å
102L91.6Very high88.6Confident0 Ų046.1 Ų46.10%026%0.261CS..Hα-helixtrans-59.2-38.2177.8-67.6174.5000111.1W60 L64 L98 M99 A104 V105 R106 L109 L114 V117 L140W60-L102 HydrophobicContact CE3-CD2 4.25Å; W60-L102 HydrophobicContact CH2-CD2 4.44Å; W60-L102 HydrophobicContact CZ3-CD2 3.79Å; L64-L102 HydrophobicContact CD2-CD1 4.47Å; L64-L102 HydrophobicContact CD2-CD2 4.14Å; L98-L102 HydrophobicContact CD1-CD1 4.39Å; L98-L102 HydrophobicContact CD1-CG 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.2Å; L98-L102 PolarHBondContact O-N 2.66Å; M99-L102 PolarHBondContact O-N 2.84Å; M99-L102 HydrophobicContact SD-CD1 4.23Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 2.86Å; L102-V105 PolarHBondContact O-N 2.82Å; L102-R106 WeakPolarHBondContact O-CA 3.35Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-L109 HydrophobicContact CB-CD1 3.92Å; L102-L109 HydrophobicContact CD2-CD1 3.63Å; L102-L109 HydrophobicContact CD2-CD2 3.89Å; L102-L109 HydrophobicContact CD2-CG 4.44Å; L102-L109 HydrophobicContact CG-CD1 4.35Å; L102-L109 WeakPolarHBondContact O-CD1 3.49Å; L102-L114 HydrophobicContact CB-CD1 4.43Å; L102-L114 HydrophobicContact CD1-CD1 3.95Å; L102-V117 HydrophobicContact CD1-CG1 4.3Å; L102-L140 HydrophobicContact CB-CD1 4.34Å; L102-L140 HydrophobicContact CB-CD2 4.49Å
103M87.6Confident88.6Confident60 Ų6043.1 Ų43.130%0.29625%0.25SS..Hα-helixtrans-58.7-44170.5-80.2-66.2-62.600112.5M99 S100 L101 L139 L140M99-M103 PolarHBondContact O-N 2.61Å; M99-M103 VanDerWaalsContact O-N 3.09Å; S100-M103 WeakPolarHBondContact O-CB 3.45Å; L101-M103 PolarHBondContact O-N 2.9Å; M103-L139 HydrophobicContact CE-CB 4.45Å; M103-L139 HydrophobicContact SD-CB 4.36Å; M103-L140 HydrophobicContact CB-CD2 4.4Å; M103-L140 HydrophobicContact CG-CD1 4.23Å; M103-L140 HydrophobicContact CG-CD2 3.67Å; M103-L140 HydrophobicContact CG-CG 3.71Å; M103-L140 HydrophobicContact SD-CB 4.24Å; M103-L140 HydrophobicContact SD-CD1 4.46Å; M103-L140 HydrophobicContact SD-CD2 3.25Å; M103-L140 WeakPolarHBondContact SD-CD2 3.49Å; M103-L140 HydrophobicContact SD-CG 3.35Å; M103-L140 WeakPolarHBondContact SD-CG 3.5Å
104A88.2Confident88.6Confident65 Ų6540.2 Ų40.254%0.53724%0.236SC..Hα-helixtrans-72.1-29.9-176.800000113.6S100 L101 L102S100-A104 PolarHBondContact O-N 3.48Å; L101-A104 WeakPolarHBondContact O-CA 3.34Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.5Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 2.86Å
105V88.8Confident88.3Confident15 Ų1542.8 Ų42.89%0.09125%0.249CC..Hα-helixtrans-105.910.1-177.4-59.30000113.3L44 L47 W60 L101 L102 P107 S108 L109L44-V105 HydrophobicContact CD1-CG1 3.74Å; L47-V105 HydrophobicContact CD1-CG1 3.93Å; W60-V105 HydrophobicContact CH2-CG2 3.61Å; W60-V105 HydrophobicContact CZ2-CB 3.99Å; W60-V105 HydrophobicContact CZ2-CG1 4.25Å; W60-V105 HydrophobicContact CZ2-CG2 3.35Å; W60-V105 HydrophobicContact CZ3-CG2 4.47Å; L101-V105 HydrophobicContact CD1-CG1 4.09Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 3.24Å; L102-V105 PolarHBondContact O-N 2.82Å; V105-P107 VanDerWaalsContact C-N 3.32Å; V105-P107 WeakPolarHBondContact O-CD 3.43Å; V105-S108 PolarHBondContact O-N 3.21Å; V105-S108 PolarHBondContact O-OG 3.2Å; V105-L109 HydrophobicContact CG2-CD1 4.25Å; V105-L109 HydrophobicContact CG2-CD2 3.98Å; V105-L109 HydrophobicContact CG2-CG 4.17Å
106R83.4Confident88.2Confident67 Ų6745 Ų4525%0.25327%0.265SS..G310 helixtrans-44.3-41.7-173.4-174.4-94.9169.795.9-9116L102 S108 L109 D143L102-R106 WeakPolarHBondContact O-CA 3.35Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.87Å; R106-S108 PolarHBondContact O-N 3.18Å; R106-S108 VanDerWaalsContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.01Å; R106-D143 PolarHBondContact NH1-O 3.37Å; R106-D143 PolarHBondContact NH2-O 3.48Å
107P81.8Confident88.2Confident126 Ų12640.5 Ų40.582%0.81825%0.248SC*.G310 helixtrans-61.7-16.7-179.7-23.934.9000115.2V105V105-P107 VanDerWaalsContact C-N 3.32Å; V105-P107 WeakPolarHBondContact O-CD 3.43Å
108S81.4Confident87.9Confident72 Ų7240.1 Ų40.150%0.50325%0.246SC..G310 helixtrans-105.95.2-179.861.10000114.1V105 R106V105-S108 PolarHBondContact O-N 3.21Å; V105-S108 PolarHBondContact O-OG 3.2Å; R106-S108 PolarHBondContact O-N 3.18Å; R106-S108 VanDerWaalsContact O-N 3.09Å
109L86.6Confident87.5Confident18 Ų1845.4 Ų45.49%0.09427%0.27CS..SBendtrans-92.7140.6-177-62.5-179.9000112.3W60 L102 V105 R106 E111 L114W60-L109 HydrophobicContact CB-CD2 3.97Å; W60-L109 HydrophobicContact CD2-CD2 3.24Å; W60-L109 HydrophobicContact CE3-CD2 3.45Å; W60-L109 VanDerWaalsContact CE3-CD2 3.45Å; W60-L109 HydrophobicContact CG-CD2 3.49Å; W60-L109 VanDerWaalsContact CG-CD2 3.49Å; W60-L109 HydrophobicContact CH2-CD2 4.37Å; W60-L109 HydrophobicContact CZ2-CD2 4.2Å; W60-L109 HydrophobicContact CZ3-CD2 4.03Å; L102-L109 HydrophobicContact CB-CD1 3.92Å; L102-L109 HydrophobicContact CD2-CD1 3.63Å; L102-L109 HydrophobicContact CD2-CD2 3.89Å; L102-L109 HydrophobicContact CD2-CG 4.44Å; L102-L109 HydrophobicContact CG-CD1 4.35Å; L102-L109 WeakPolarHBondContact O-CD1 3.49Å; V105-L109 HydrophobicContact CG2-CD1 4.25Å; V105-L109 HydrophobicContact CG2-CD2 3.98Å; V105-L109 HydrophobicContact CG2-CG 4.17Å; R106-L109 PolarHBondContact O-N 3.01Å; L109-E111 PolarHBondContact O-N 3.3Å; L109-L114 HydrophobicContact CB-CD2 4.49Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å
110P88.6Confident87.3Confident44 Ų4446.1 Ų46.129%0.28627%0.274SS..  trans-71.7124.4169.429.2-32000110.4W60 L64 S112 G113 L114W60-P110 HydrophobicContact CB-CG 4.42Å; L64-P110 HydrophobicContact CD1-CG 3.71Å; P110-S112 PolarHBondContact O-N 3.07Å; P110-G113 PolarHBondContact O-N 3.42Å; P110-L114 PolarHBondContact O-N 3.13Å; P110-L114 VanDerWaalsContact O-N 3.09Å
111E86.4Confident86.9Confident122 Ų12245.2 Ų45.257%0.5727%0.269SS*.Hα-helixtrans-60.6-41.8-173.9-63.3-174.3162.700113L109 L114 L115 L144L109-E111 PolarHBondContact O-N 3.3Å; E111-L114 PolarHBondContact O-N 3.19Å; E111-L115 WeakPolarHBondContact O-CG 3.4Å; E111-L115 PolarHBondContact O-N 3.43Å; E111-L144 HydrophobicContact CB-CD2 4.41Å; E111-L144 HydrophobicContact CG-CD2 4.07Å
112S85Confident86Confident92 Ų9249.3 Ų49.364%0.64329%0.288SS*.Hα-helixtrans-62.1-45.2179.854.10000112.6P110 L115 S116P110-S112 PolarHBondContact O-N 3.07Å; S112-L115 PolarHBondContact O-N 2.89Å; S112-S116 PolarHBondContact O-N 3.28Å; S112-S116 PolarHBondContact O-OG 2.96Å
113G86.6Confident85.1Confident14 Ų1454 Ų5414%0.14431%0.31CS..Hα-helixtrans-66.7-38.1177.300000112.4P110 S116 V117P110-G113 PolarHBondContact O-N 3.42Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.06Å; G113-V117 VanDerWaalsContact O-N 3.1Å
114L88.3Confident84.1Confident1 Ų153.2 Ų53.21%0.00531%0.307CS..Hα-helixtrans-66-40.5177.4-177.857.7000111.6L102 L109 P110 E111 S116 V117 L118 L140 L144L102-L114 HydrophobicContact CB-CD1 4.43Å; L102-L114 HydrophobicContact CD1-CD1 3.95Å; L109-L114 HydrophobicContact CB-CD2 4.49Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å; P110-L114 PolarHBondContact O-N 3.13Å; P110-L114 VanDerWaalsContact O-N 3.09Å; E111-L114 PolarHBondContact O-N 3.19Å; L114-S116 PolarHBondContact O-N 2.69Å; L114-V117 PolarHBondContact O-N 3.4Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.32Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.34Å; L114-L140 HydrophobicContact CD2-CD2 4.43Å; L114-L144 HydrophobicContact CD2-CD1 3.76Å; L114-L144 HydrophobicContact CD2-CD2 4.09Å; L114-L144 HydrophobicContact CD2-CG 4.26Å; L114-L144 HydrophobicContact CG-CD1 3.97Å
115L86.7Confident82.5Confident53 Ų5358.4 Ų58.428%0.27733%0.325SS..Hα-helixtrans-61.2-43.1175.1-72.2171.3000112.2E111 S112 L118 Q119 L144 V146E111-L115 WeakPolarHBondContact O-CG 3.4Å; E111-L115 PolarHBondContact O-N 3.43Å; S112-L115 PolarHBondContact O-N 2.89Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-Q119 WeakPolarHBondContact O-CB 3.5Å; L115-Q119 PolarHBondContact O-N 2.97Å; L115-L144 HydrophobicContact CD2-CD1 3.92Å; L115-L144 HydrophobicContact CG-CD1 4.37Å; L115-V146 HydrophobicContact CD1-CG2 4.19Å; L115-V146 HydrophobicContact CD2-CB 3.99Å; L115-V146 HydrophobicContact CD2-CG1 4.02Å; L115-V146 HydrophobicContact CD2-CG2 4.14Å
116S88.3Confident81.2Confident51 Ų5159.4 Ų59.436%0.35733%0.334SS..Hα-helixtrans-60.6-45.5176.5-59.80000111.9C68 S112 G113 L114 L118 Q119 I120C68-S116 VanDerWaalsContact SG-CB 3.56Å; S112-S116 PolarHBondContact O-N 3.28Å; S112-S116 PolarHBondContact O-OG 2.96Å; G113-S116 PolarHBondContact O-N 3.46Å; L114-S116 PolarHBondContact O-N 2.69Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.08Å; S116-Q119 WeakPolarHBondContact O-CB 3.44Å; S116-Q119 PolarHBondContact O-N 2.89Å; S116-I120 WeakPolarHBondContact O-CG1 3.5Å; S116-I120 PolarHBondContact O-N 3.25Å
117V89.8Confident79.8Confident0 Ų063 Ų630%037%0.366CS..Hα-helixtrans-60.5-43.4175.41650000111.4L64 L67 C68 L87 M99 L102 G113 L114 Q119 I120 A121L64-V117 HydrophobicContact CB-CG2 4.23Å; L64-V117 HydrophobicContact CD2-CB 4.38Å; L64-V117 HydrophobicContact CD2-CG2 3.67Å; L67-V117 HydrophobicContact CB-CG2 4.26Å; C68-V117 VanDerWaalsContact SG-CG2 3.54Å; L87-V117 HydrophobicContact CD2-CG1 3.89Å; L87-V117 WeakPolarHBondContact CD2-O 3.4Å; M99-V117 HydrophobicContact CE-CG1 3.75Å; L102-V117 HydrophobicContact CD1-CG1 4.3Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.06Å; G113-V117 VanDerWaalsContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 3.4Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.33Å; V117-I120 PolarHBondContact O-N 3.48Å; V117-A121 WeakPolarHBondContact O-CB 3.19Å; V117-A121 PolarHBondContact O-N 3.07Å
118L87.3Confident79Confident1 Ų163.7 Ų63.71%0.00536%0.363CS..Hα-helixtrans-68.7-27.3177.6-69.3172.4000113.1M99 L114 L115 S116 Q122 L140 R141 L144M99-L118 HydrophobicContact SD-CD2 4.27Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.32Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 2.89Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.08Å; L118-Q122 WeakPolarHBondContact O-CG 3.26Å; L118-L140 HydrophobicContact CD1-CB 3.77Å; L118-L140 HydrophobicContact CD2-CB 3.86Å; L118-L140 HydrophobicContact CD2-CD1 3.81Å; L118-L140 HydrophobicContact CD2-CG 4.46Å; L118-L140 HydrophobicContact CG-CB 4.45Å; L118-R141 HydrophobicContact CB-CG 4.36Å; L118-R141 HydrophobicContact CD1-CG 3.72Å; L118-R141 PolarHBondContact O-NH2 3.44Å; L118-L144 HydrophobicContact CD1-CD1 3.86Å
119Q86.4Confident78.3Confident111 Ų11162.4 Ų62.452%0.51935%0.353SS..Hα-helixtrans-71.7-47174.3-170.2178.60.800110.3L115 S116 V117 Q122 Q123L115-Q119 WeakPolarHBondContact O-CB 3.5Å; L115-Q119 PolarHBondContact O-N 2.97Å; S116-Q119 WeakPolarHBondContact O-CB 3.44Å; S116-Q119 PolarHBondContact O-N 2.89Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.33Å; Q119-Q122 PolarHBondContact O-N 3.43Å; Q119-Q123 WeakPolarHBondContact O-CG 3.29Å; Q119-Q123 PolarHBondContact O-N 2.99Å
120I86.6Confident78Confident17 Ų1762.8 Ų62.89%0.08736%0.355CS..Hα-helixtrans-64.1-43179.2-67.7169.8000111.5C68 P85 L87 L88 S116 V117 Q122 Q123C68-I120 VanDerWaalsContact CA-CD1 3.47Å; C68-I120 HydrophobicContact CB-CD1 3.54Å; P85-I120 HydrophobicContact CB-CD1 4.08Å; P85-I120 HydrophobicContact CB-CG2 3.6Å; P85-I120 HydrophobicContact CG-CD1 4.15Å; P85-I120 HydrophobicContact CG-CG1 4.35Å; P85-I120 HydrophobicContact CG-CG2 3.72Å; L87-I120 HydrophobicContact CB-CG2 4.28Å; L87-I120 HydrophobicContact CD2-CB 4.23Å; L87-I120 HydrophobicContact CD2-CG2 3.96Å; L88-I120 HydrophobicContact CD1-CG2 4.16Å; L88-I120 HydrophobicContact CD2-CG2 4.26Å; L88-I120 HydrophobicContact CG-CG2 3.89Å; S116-I120 WeakPolarHBondContact O-CG1 3.5Å; S116-I120 PolarHBondContact O-N 3.25Å; V117-I120 PolarHBondContact O-N 3.48Å; I120-Q122 PolarHBondContact O-N 3.35Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; I120-Q123 WeakPolarHBondContact O-CB 3.49Å; I120-Q123 PolarHBondContact O-N 3.5Å
121A82.8Confident77.5Confident19 Ų1964 Ų6416%0.15737%0.37CS..THydrogen-bonded Turntrans-59.9-22.8177.400000113.5L87 M99 V117L87-A121 HydrophobicContact CD2-CB 4.07Å; M99-A121 HydrophobicContact CE-CB 3.77Å; V117-A121 WeakPolarHBondContact O-CB 3.19Å; V117-A121 PolarHBondContact O-N 3.07Å
122Q74.8Confident77.2Confident88 Ų8865.9 Ų65.941%0.41137%0.372SS..THydrogen-bonded Turntrans-93.9-15.2176.6-69.8-175.82.400113.7L118 Q119 I120 D124L118-Q122 WeakPolarHBondContact O-CG 3.26Å; Q119-Q122 PolarHBondContact O-N 3.43Å; I120-Q122 PolarHBondContact O-N 3.35Å; I120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-D124 PolarHBondContact O-N 3.06Å
123Q71.3Confident77Confident98 Ų9862.1 Ų62.146%0.45834%0.344SS..  trans-79.84.3176.9-73.6171.22.400112.7Q119 I120 L125Q119-Q123 WeakPolarHBondContact O-CG 3.29Å; Q119-Q123 PolarHBondContact O-N 2.99Å; I120-Q123 WeakPolarHBondContact O-CB 3.49Å; I120-Q123 PolarHBondContact O-N 3.5Å; Q123-L125 PolarHBondContact O-N 3.31Å
124D66.2Low76.7Confident44 Ų4466.3 Ų66.324%0.23536%0.356CS..  trans-60104.9175.6-1673.6000109.8L88 Q122 A126L88-D124 HydrophobicContact CD2-CB 4.47Å; Q122-D124 PolarHBondContact O-N 3.06Å; D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 2.93Å
125L54.9Low76.3Confident174 Ų17468.2 Ų68.291%0.91137%0.372SS*.  trans-767.3179.6-71.5165000112Q123Q123-L125 PolarHBondContact O-N 3.31Å
126A61.7Low76Confident35 Ų3566.7 Ų66.729%0.28936%0.363SS..  trans-56.6138.5175.400000111D124 D128D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 2.93Å; A126-D128 PolarHBondContact O-N 3.33Å; A126-D128 VanDerWaalsContact O-N 3.09Å
127P54.4Low75.8Confident142 Ų14264.4 Ų64.492%0.92235%0.348SS*.SBendtrans-63.1-17-178.922.8-31.7000113.7
128D64.3Low75.3Confident141 Ų14169.3 Ų69.375%0.75437%0.371SS*.SBendtrans-133.792.7170.5-173.220.3000110A126A126-D128 PolarHBondContact O-N 3.33Å; A126-D128 VanDerWaalsContact O-N 3.09Å
129P67.8Low75Confident45 Ų4571.4 Ų71.429%0.29238%0.382SS..  trans-77.2137.6-177.85.36.9000110.6A131 R134P129-A131 PolarHBondContact O-N 3.41Å; P129-A131 VanDerWaalsContact O-N 3.14Å; P129-R134 PolarHBondContact O-NH2 3.17Å
130D79.2Confident74.8Confident26 Ų2666.2 Ų66.214%0.13936%0.358CS..  trans-54.4115.6-175.2-172.9-76.6000112.6R96 W132 L133 R134R96-D130 IonicContact CZ-OD2 3.91Å; R96-D130 IonicContact NE-OD1 3.72Å; R96-D130 PolarHBondContact NE-OD1 3.17Å; R96-D130 IonicContact NE-OD2 2.66Å; R96-D130 PolarHBondContact NE-OD2 2.92Å; R96-D130 IonicContact NH2-OD2 3.73Å; R96-D130 PolarHBondContact NH2-OD2 3.46Å; D130-W132 PolarHBondContact O-N 3.27Å; D130-W132 WeakPolarHBondContact OD1-CA 3.28Å; D130-W132 WeakPolarHBondContact OD1-CB 3.48Å; D130-W132 PolarHBondContact OD1-N 3.19Å; D130-L133 HydrophobicContact CB-CB 4.07Å; D130-L133 HydrophobicContact CB-CD1 3.9Å; D130-L133 HydrophobicContact CB-CG 4.05Å; D130-L133 PolarHBondContact O-N 3.13Å; D130-L133 PolarHBondContact OD1-N 3.5Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-N 3.08Å
131A79.3Confident74.5Confident71 Ų7168.6 Ų68.659%0.58737%0.366SS*.Hα-helixtrans-63.3-27.7-176.900000113.2P129 A135P129-A131 PolarHBondContact O-N 3.41Å; P129-A131 VanDerWaalsContact O-N 3.14Å; A131-A135 WeakPolarHBondContact O-CB 3.36Å; A131-A135 PolarHBondContact O-N 3.16Å; A131-A135 VanDerWaalsContact O-N 3.12Å
132W78.5Confident74.1Confident161 Ų16174.4 Ų74.461%0.6138%0.384SS*.Hα-helixtrans-77.5-43.4-178.9-157.2-99000111.4D130 R134 A135 L136D130-W132 PolarHBondContact O-N 3.27Å; D130-W132 WeakPolarHBondContact OD1-CA 3.28Å; D130-W132 WeakPolarHBondContact OD1-CB 3.48Å; D130-W132 PolarHBondContact OD1-N 3.19Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.9Å; W132-A135 PolarHBondContact O-N 2.8Å; W132-L136 WeakPolarHBondContact O-CB 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.46Å; W132-L136 PolarHBondContact O-N 3.14Å
133L81.1Confident74Confident13 Ų1373.1 Ų73.17%0.06838%0.379CS..Hα-helixtrans-60.7-41.7172.6-71.9178.6000111.4Q92 Q95 R96 M99 D130 L136 G137Q92-L133 VanDerWaalsContact OE1-CD1 3.29Å; Q95-L133 HydrophobicContact CB-CD1 3.93Å; Q95-L133 HydrophobicContact CB-CD2 3.86Å; R96-L133 HydrophobicContact CB-CD2 4.39Å; R96-L133 HydrophobicContact CG-CD2 3.95Å; R96-L133 HydrophobicContact CG-CG 4.02Å; M99-L133 HydrophobicContact CB-CD2 4.47Å; M99-L133 HydrophobicContact CG-CD2 3.76Å; D130-L133 HydrophobicContact CB-CB 4.07Å; D130-L133 HydrophobicContact CB-CD1 3.9Å; D130-L133 HydrophobicContact CB-CG 4.05Å; D130-L133 PolarHBondContact O-N 3.13Å; D130-L133 PolarHBondContact OD1-N 3.5Å; L133-L136 PolarHBondContact O-N 3.04Å; L133-G137 PolarHBondContact O-N 3.16Å
134R80.9Confident73.9Confident102 Ų10269.3 Ų69.339%0.38536%0.362SS..Hα-helixtrans-59.1-51175-168.2-176.8-58114.59.1111.6P129 D130 W132 L136 G137 E138P129-R134 PolarHBondContact O-NH2 3.17Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-N 3.08Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.9Å; R134-L136 PolarHBondContact O-N 3.28Å; R134-G137 PolarHBondContact O-N 3.41Å; R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 3.17Å
135A80.3Confident73.8Confident41 Ų4170.2 Ų70.234%0.33938%0.382SS..Hα-helixtrans-63-42.9-179.500000112.8A131 W132 E138 L139A131-A135 WeakPolarHBondContact O-CB 3.36Å; A131-A135 PolarHBondContact O-N 3.16Å; A131-A135 VanDerWaalsContact O-N 3.12Å; W132-A135 PolarHBondContact O-N 2.8Å; A135-E138 PolarHBondContact O-N 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 3.03Å; A135-L139 VanDerWaalsContact O-N 3.07Å
136L80.6Confident74Confident20 Ų2065.9 Ų65.911%0.10536%0.362CS..Hα-helixtrans-65.9-39176.1-72173.6000112M99 W132 L133 R134 L139 L140M99-L136 HydrophobicContact CB-CB 3.95Å; M99-L136 HydrophobicContact CB-CD1 3.8Å; W132-L136 WeakPolarHBondContact O-CB 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.46Å; W132-L136 PolarHBondContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.04Å; R134-L136 PolarHBondContact O-N 3.28Å; L136-L139 PolarHBondContact O-N 3.33Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.21Å
137G82.8Confident73.4Confident4 Ų467.2 Ų67.24%0.04138%0.379CS..Hα-helixtrans-65.2-41.1176.700000112.7L133 R134 L140 R141L133-G137 PolarHBondContact O-N 3.16Å; R134-G137 PolarHBondContact O-N 3.41Å; G137-L140 PolarHBondContact O-N 3.35Å; G137-R141 WeakPolarHBondContact O-CG 3.33Å; G137-R141 PolarHBondContact O-N 3.28Å
138E80.9Confident73Confident103 Ų10367 Ų6748%0.48138%0.376SS..Hα-helixtrans-63.5-42.8174.5-75175.6-172.800112.3R134 A135 R141 R142R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 3.17Å; A135-E138 PolarHBondContact O-N 3.4Å; E138-R141 PolarHBondContact O-N 2.9Å; E138-R142 WeakPolarHBondContact O-CB 3.34Å; E138-R142 PolarHBondContact O-N 3.11Å
139L80.9Confident72Confident45 Ų4564.6 Ų64.624%0.23637%0.37CS..Hα-helixtrans-59-49.3174.5-79167.8000111.7M103 A135 L136 R141 R142 D143 P155M103-L139 HydrophobicContact CE-CB 4.45Å; M103-L139 HydrophobicContact SD-CB 4.36Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 3.03Å; A135-L139 VanDerWaalsContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.33Å; L139-R141 PolarHBondContact O-N 2.8Å; L139-R142 PolarHBondContact O-N 3.2Å; L139-D143 VanDerWaalsContact O-CG 3.25Å; L139-D143 PolarHBondContact O-N 2.55Å; L139-D143 VanDerWaalsContact O-N 3.09Å; L139-P155 HydrophobicContact CD2-CB 4.48Å; L139-P155 HydrophobicContact CD2-CG 3.61Å; L139-P155 HydrophobicContact CG-CG 4.32Å
140L81.4Confident71Confident1 Ų169.9 Ų69.91%0.00539%0.393CS..Hα-helixtrans-59.1-43.7177.3-80.3165.5000112M99 L102 M103 L114 L118 L136 G137 D143 L144M99-L140 HydrophobicContact SD-CD1 4.1Å; L102-L140 HydrophobicContact CB-CD1 4.34Å; L102-L140 HydrophobicContact CB-CD2 4.49Å; M103-L140 HydrophobicContact CB-CD2 4.4Å; M103-L140 HydrophobicContact CG-CD1 4.23Å; M103-L140 HydrophobicContact CG-CD2 3.67Å; M103-L140 HydrophobicContact CG-CG 3.71Å; M103-L140 HydrophobicContact SD-CB 4.24Å; M103-L140 HydrophobicContact SD-CD1 4.46Å; M103-L140 HydrophobicContact SD-CD2 3.25Å; M103-L140 WeakPolarHBondContact SD-CD2 3.49Å; M103-L140 HydrophobicContact SD-CG 3.35Å; M103-L140 WeakPolarHBondContact SD-CG 3.5Å; L114-L140 HydrophobicContact CD2-CD2 4.43Å; L118-L140 HydrophobicContact CD1-CB 3.77Å; L118-L140 HydrophobicContact CD2-CB 3.86Å; L118-L140 HydrophobicContact CD2-CD1 3.81Å; L118-L140 HydrophobicContact CD2-CG 4.46Å; L118-L140 HydrophobicContact CG-CB 4.45Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.21Å; G137-L140 PolarHBondContact O-N 3.35Å; L140-D143 PolarHBondContact O-N 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-L144 VanDerWaalsContact O-N 3.14Å
141R80.8Confident69.2Low67 Ų6777.3 Ų77.325%0.25343%0.427SS..Hα-helixtrans-66.2-44.8178.6-75.3-170.7179.3-176.16.4113.2L118 G137 E138 L139 D143 L144 G145L118-R141 HydrophobicContact CB-CG 4.36Å; L118-R141 HydrophobicContact CD1-CG 3.72Å; L118-R141 PolarHBondContact O-NH2 3.44Å; G137-R141 WeakPolarHBondContact O-CG 3.33Å; G137-R141 PolarHBondContact O-N 3.28Å; E138-R141 PolarHBondContact O-N 2.9Å; L139-R141 PolarHBondContact O-N 2.8Å; R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 PolarHBondContact O-N 3Å; R141-L144 WeakPolarHBondContact O-CB 3.38Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-L144 VanDerWaalsContact O-N 3.13Å; R141-G145 PolarHBondContact O-N 3.45Å
142R74.9Confident67.9Low142 Ų14277.8 Ų77.854%0.53644%0.438SS..Hα-helixtrans-57.5-45.9177.8-174.7-165.969.7168.80.3110.1E138 L139 L144 G145E138-R142 WeakPolarHBondContact O-CB 3.34Å; E138-R142 PolarHBondContact O-N 3.11Å; L139-R142 PolarHBondContact O-N 3.2Å; R142-L144 PolarHBondContact O-N 2.81Å; R142-G145 PolarHBondContact O-N 2.9Å; R142-G145 VanDerWaalsContact O-N 3.1Å
143D71.3Confident66.5Low60 Ų6072.9 Ų72.932%0.32143%0.433SS..Hα-helixtrans-72.5-21.5-176.4-59.3-15000111.2R106 L139 L140 R141 G145R106-D143 PolarHBondContact NH1-O 3.37Å; R106-D143 PolarHBondContact NH2-O 3.48Å; L139-D143 VanDerWaalsContact O-CG 3.25Å; L139-D143 PolarHBondContact O-N 2.55Å; L139-D143 VanDerWaalsContact O-N 3.09Å; L140-D143 PolarHBondContact O-N 3.37Å; R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 PolarHBondContact O-N 3Å; D143-G145 VanDerWaalsContact C-N 3.3Å
144L70.4Confident65.4Low19 Ų1974.8 Ų74.810%0.09945%0.447CS..THydrogen-bonded Turntrans-75.2-9.8170.4-74.1166.2000114.2E111 L114 L115 L118 L140 R141 R142 V146E111-L144 HydrophobicContact CB-CD2 4.41Å; E111-L144 HydrophobicContact CG-CD2 4.07Å; L114-L144 HydrophobicContact CD2-CD1 3.76Å; L114-L144 HydrophobicContact CD2-CD2 4.09Å; L114-L144 HydrophobicContact CD2-CG 4.26Å; L114-L144 HydrophobicContact CG-CD1 3.97Å; L115-L144 HydrophobicContact CD2-CD1 3.92Å; L115-L144 HydrophobicContact CG-CD1 4.37Å; L118-L144 HydrophobicContact CD1-CD1 3.86Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-L144 VanDerWaalsContact O-N 3.14Å; R141-L144 WeakPolarHBondContact O-CB 3.38Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-L144 VanDerWaalsContact O-N 3.13Å; R142-L144 PolarHBondContact O-N 2.81Å; L144-V146 HydrophobicContact CB-CG2 4.38Å; L144-V146 PolarHBondContact O-N 2.77Å
145G64.4Low64.4Low63 Ų6373.2 Ų73.265%0.64945%0.45SS*.THydrogen-bonded Turntrans706.5-17700000114.4R141 R142 D143 G147R141-G145 PolarHBondContact O-N 3.45Å; R142-G145 PolarHBondContact O-N 2.9Å; R142-G145 VanDerWaalsContact O-N 3.1Å; D143-G145 VanDerWaalsContact C-N 3.3Å; G145-G147 PolarHBondContact O-N 3.39Å
146V57.6Low63.6Low82 Ų8274.2 Ų74.250%0.49745%0.449SS..  trans-95.179.8179.7-175.60000108.5L115 L144L115-V146 HydrophobicContact CD1-CG2 4.19Å; L115-V146 HydrophobicContact CD2-CB 3.99Å; L115-V146 HydrophobicContact CD2-CG1 4.02Å; L115-V146 HydrophobicContact CD2-CG2 4.14Å; L144-V146 HydrophobicContact CB-CG2 4.38Å; L144-V146 PolarHBondContact O-N 2.77Å
147G50.4Low63.3Low63 Ų6376.7 Ų76.765%0.64947%0.468SS*.SBendtrans170.1136.4177.900000110.4G145 S149G145-G147 PolarHBondContact O-N 3.39Å; G147-S149 PolarHBondContact O-N 3.31Å
148T44.3Very low63Low139 Ų13984.7 Ų84.785%0.85350%0.502SS*.SBendtrans-48133.4177.5350000110.9M150T148-M150 PolarHBondContact O-N 3.47Å
149S44.3Very low62.8Low90 Ų9086.4 Ų86.463%0.62951%0.508SS*.  trans-39.397.3178.4-176.80000111.6G147 E151G147-S149 PolarHBondContact O-N 3.31Å; S149-E151 WeakPolarHBondContact OG-CG 3.49Å; S149-E151 PolarHBondContact OG-N 3.35Å; S149-E151 PolarHBondContact OG-OE2 3.12Å
150M45.9Very low62.5Low155 Ų15586.3 Ų86.376%0.76451%0.51SS*.  trans-96.266.5151.4-81.8-138.6-91.500106.5T148 G152 A153T148-M150 PolarHBondContact O-N 3.47Å; M150-G152 PolarHBondContact O-N 2.94Å; M150-A153 HydrophobicContact SD-CB 4.07Å
151E42.6Very low62.3Low182 Ų18289 Ų8985%0.8552%0.523SS*.THydrogen-bonded Turntrans-50.3108158.3-97.8168.4134.800108.6S149S149-E151 WeakPolarHBondContact OG-CG 3.49Å; S149-E151 PolarHBondContact OG-N 3.35Å; S149-E151 PolarHBondContact OG-OE2 3.12Å
152G50.8Low62.3Low81 Ų8193.9 Ų93.984%0.83554%0.541SS*.THydrogen-bonded Turntrans102.1-5.7160.500000118.3M150 S154M150-G152 PolarHBondContact O-N 2.94Å; G152-S154 PolarHBondContact O-N 3.48Å
153A50.9Low62.6Low59 Ų5991.8 Ų91.849%0.48854%0.538SS..  trans-85.292.717400000110.3M150M150-A153 HydrophobicContact SD-CB 4.07Å
154S57Low62.9Low52 Ų5293 Ų9336%0.36454%0.543SS..  trans-59.9133.9170.51620000109.8G152 L156 Q161G152-S154 PolarHBondContact O-N 3.48Å; S154-L156 PolarHBondContact O-N 2.91Å; S154-L156 VanDerWaalsContact O-N 3.11Å; S154-L156 PolarHBondContact OG-N 2.87Å; S154-Q161 PolarHBondContact OG-NE2 3.4Å; S154-Q161 VanDerWaalsContact OG-NE2 3.08Å
155P59.1Low63.3Low69 Ų6997.1 Ų97.145%0.44856%0.562SS.*SBendtrans-67.1-12.8-177.626.6-33000112.4L139L139-P155 HydrophobicContact CD2-CB 4.48Å; L139-P155 HydrophobicContact CD2-CG 3.61Å; L139-P155 HydrophobicContact CG-CG 4.32Å
156L63.9Low64.1Low62 Ų6297.6 Ų97.633%0.32556%0.556SS.*SBendtrans-83.1130.4173.7-60177.3000109.1S154 C160 Q161 L164S154-L156 PolarHBondContact O-N 2.91Å; S154-L156 VanDerWaalsContact O-N 3.11Å; S154-L156 PolarHBondContact OG-N 2.87Å; L156-C160 HydrophobicContact CB-CB 4.21Å; L156-Q161 HydrophobicContact CB-CG 3.58Å; L156-Q161 HydrophobicContact CD1-CG 4.44Å; L156-Q161 PolarHBondContact O-NE2 3.49Å; L156-L164 HydrophobicContact CD1-CD2 4.01Å
157S74.3Confident65Low73 Ų7397.4 Ų97.451%0.5155%0.551SS.*  trans-54.7152.4169.272.80000110.6K159 C160 Q161S157-K159 PolarHBondContact O-N 2.84Å; S157-C160 WeakPolarHBondContact O-CA 3.49Å; S157-C160 PolarHBondContact O-N 2.82Å; S157-C160 WeakPolarHBondContact OG-CB 3.49Å; S157-C160 PolarHBondContact OG-N 2.78Å; S157-C160 VanDerWaalsContact OG-N 3.13Å; S157-Q161 WeakPolarHBondContact O-CG 3.47Å; S157-Q161 PolarHBondContact O-N 2.88Å
158K77.6Confident66.2Low171 Ų17197.7 Ų97.774%0.74354%0.543SS*.Hα-helixtrans-53.8-26175.7-67.7-177179.7178.80113R162K158-R162 WeakPolarHBondContact O-CG 3.3Å; K158-R162 PolarHBondContact O-N 3.23Å; K158-R162 PolarHBondContact O-NE 2.82Å; K158-R162 VanDerWaalsContact O-NE 3.1Å
159K76.8Confident67.6Low140 Ų140101.5 Ų101.561%0.60954%0.542SS*.Hα-helixtrans-72.3-49.1173.2-174.7-180179-178.20111S157 Q161 R162 Q163S157-K159 PolarHBondContact O-N 2.84Å; K159-Q161 PolarHBondContact O-N 2.64Å; K159-R162 PolarHBondContact O-N 3.33Å; K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.98Å
160C73.3Confident68.6Low43 Ų4399.2 Ų99.229%0.29153%0.533SS..Hα-helixtrans-65.3-38179.7-160.60000111.8L156 S157 R162 Q163 L164L156-C160 HydrophobicContact CB-CB 4.21Å; S157-C160 WeakPolarHBondContact O-CA 3.49Å; S157-C160 PolarHBondContact O-N 2.82Å; S157-C160 WeakPolarHBondContact OG-CB 3.49Å; S157-C160 PolarHBondContact OG-N 2.78Å; S157-C160 VanDerWaalsContact OG-N 3.13Å; C160-R162 PolarHBondContact O-N 3.16Å; C160-Q163 PolarHBondContact O-N 3.33Å; C160-L164 VanDerWaalsContact O-CB 3.31Å; C160-L164 WeakPolarHBondContact O-CB 3.35Å; C160-L164 PolarHBondContact O-N 3.3Å
161Q78.1Confident69.2Low58 Ų5894.5 Ų94.527%0.27151%0.51SS..Hα-helixtrans-60-45.2172.5-68.1175.921.400112.3S154 L156 S157 K159 L164 Q165S154-Q161 PolarHBondContact OG-NE2 3.4Å; S154-Q161 VanDerWaalsContact OG-NE2 3.08Å; L156-Q161 HydrophobicContact CB-CG 3.58Å; L156-Q161 HydrophobicContact CD1-CG 4.44Å; L156-Q161 PolarHBondContact O-NE2 3.49Å; S157-Q161 WeakPolarHBondContact O-CG 3.47Å; S157-Q161 PolarHBondContact O-N 2.88Å; K159-Q161 PolarHBondContact O-N 2.64Å; Q161-L164 PolarHBondContact O-N 3.3Å; Q161-Q165 VanDerWaalsContact O-CB 3.3Å; Q161-Q165 WeakPolarHBondContact O-CB 3.42Å; Q161-Q165 WeakPolarHBondContact O-CG 3.31Å; Q161-Q165 PolarHBondContact O-N 3.46Å
162R81.4Confident69.8Low169 Ų16987.7 Ų87.764%0.63849%0.489SS*.Hα-helixtrans-64-42.1177.1-76.8-176.7-72.9155.9-7.3111.6K158 K159 C160 Q165 S166K158-R162 WeakPolarHBondContact O-CG 3.3Å; K158-R162 PolarHBondContact O-N 3.23Å; K158-R162 PolarHBondContact O-NE 2.82Å; K158-R162 VanDerWaalsContact O-NE 3.1Å; K159-R162 PolarHBondContact O-N 3.33Å; C160-R162 PolarHBondContact O-N 3.16Å; R162-Q165 PolarHBondContact O-N 3.01Å; R162-S166 WeakPolarHBondContact O-CB 3.21Å; R162-S166 PolarHBondContact O-N 3.46Å; R162-S166 PolarHBondContact O-OG 2.97Å
163Q80.4Confident69.5Low98 Ų9891 Ų9146%0.45850%0.496SS..Hα-helixtrans-63-47.2174.8-73.5175.5-43.100111.4K159 C160 Q165 S166 L167K159-Q163 WeakPolarHBondContact O-CG 3.45Å; K159-Q163 PolarHBondContact O-N 2.98Å; C160-Q163 PolarHBondContact O-N 3.33Å; Q163-Q165 PolarHBondContact O-N 3.46Å; Q163-S166 WeakPolarHBondContact CA-OG 3.46Å; Q163-S166 PolarHBondContact O-N 3.27Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; Q163-S166 PolarHBondContact O-OG 3.28Å; Q163-L167 WeakPolarHBondContact O-CB 3.34Å; Q163-L167 VanDerWaalsContact O-CG 3.3Å; Q163-L167 WeakPolarHBondContact O-CG 3.3Å; Q163-L167 PolarHBondContact O-N 3.27Å
164L76.9Confident69.7Low84 Ų8491.5 Ų91.544%0.4451%0.506SS..Hα-helixtrans-62.7-44177.6-15991.5000111.1L156 C160 Q161 S166 L167 C168L156-L164 HydrophobicContact CD1-CD2 4.01Å; C160-L164 VanDerWaalsContact O-CB 3.31Å; C160-L164 WeakPolarHBondContact O-CB 3.35Å; C160-L164 PolarHBondContact O-N 3.3Å; Q161-L164 PolarHBondContact O-N 3.3Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.01Å; L164-L167 PolarHBondContact O-N 3.41Å; L164-C168 VanDerWaalsContact O-CB 3.25Å; L164-C168 WeakPolarHBondContact O-CB 3.5Å; L164-C168 PolarHBondContact O-N 3.03Å; L164-C168 PolarHBondContact O-SG 3.14Å
165Q80.1Confident69.3Low106 Ų10691.4 Ų91.450%0.49551%0.514SS..Hα-helixtrans-60.9-39174.2-75.1172.48.200111.8Q161 R162 Q163 R169Q161-Q165 VanDerWaalsContact O-CB 3.3Å; Q161-Q165 WeakPolarHBondContact O-CB 3.42Å; Q161-Q165 WeakPolarHBondContact O-CG 3.31Å; Q161-Q165 PolarHBondContact O-N 3.46Å; R162-Q165 PolarHBondContact O-N 3.01Å; Q163-Q165 PolarHBondContact O-N 3.46Å; Q165-R169 WeakPolarHBondContact O-CB 3.37Å; Q165-R169 VanDerWaalsContact O-CG 3.24Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.24Å
166S79.5Confident68.8Low73 Ų7398.4 Ų98.451%0.5153%0.531SS..Hα-helixtrans-66.8-4117573.60000112.2R162 Q163 L164 R169 G170R162-S166 WeakPolarHBondContact O-CB 3.21Å; R162-S166 PolarHBondContact O-N 3.46Å; R162-S166 PolarHBondContact O-OG 2.97Å; Q163-S166 WeakPolarHBondContact CA-OG 3.46Å; Q163-S166 PolarHBondContact O-N 3.27Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; Q163-S166 PolarHBondContact O-OG 3.28Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.01Å; S166-R169 PolarHBondContact O-N 3.36Å; S166-G170 PolarHBondContact O-N 3Å
167L78.4Confident67.8Low78 Ų78104.5 Ų104.541%0.40855%0.55SS..Hα-helixtrans-65.4-45.7175-71165.5000110.8Q163 L164 R169 G170 L171 L178Q163-L167 WeakPolarHBondContact O-CB 3.34Å; Q163-L167 VanDerWaalsContact O-CG 3.3Å; Q163-L167 WeakPolarHBondContact O-CG 3.3Å; Q163-L167 PolarHBondContact O-N 3.27Å; L164-L167 PolarHBondContact O-N 3.41Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.38Å; L167-G170 CarbonylContact O-C 3.5Å; L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 2.8Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.77Å; L167-L178 HydrophobicContact CB-CD2 4.4Å; L167-L178 HydrophobicContact CD2-CD2 3.55Å
168C73.6Confident66.2Low70 Ų70106.6 Ų106.647%0.47356%0.555SS.*Hα-helixtrans-64.6-31175.6-69.70000112.5L164 L171L164-C168 VanDerWaalsContact O-CB 3.25Å; L164-C168 WeakPolarHBondContact O-CB 3.5Å; L164-C168 PolarHBondContact O-N 3.03Å; L164-C168 PolarHBondContact O-SG 3.14Å; C168-L171 CarbonylContact O-C 3.53Å; C168-L171 PolarHBondContact O-N 2.84Å
169R74.8Confident64.5Low218 Ų218107.4 Ų107.482%0.82356%0.559SS**Hα-helixtrans-71.4-33.1170.1-76.4177.1-170.4-145.54.3111.9Q165 S166 L167 L171Q165-R169 WeakPolarHBondContact O-CB 3.37Å; Q165-R169 VanDerWaalsContact O-CG 3.24Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.24Å; S166-R169 PolarHBondContact O-N 3.36Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.38Å; R169-L171 VanDerWaalsContact C-N 3.35Å
170G64.9Low62.5Low43 Ų43105.6 Ų105.644%0.44356%0.564SS.*Hα-helixtrans-71-30.517200000113.2S166 L167 G172 R177S166-G170 PolarHBondContact O-N 3Å; L167-G170 CarbonylContact O-C 3.5Å; L167-G170 WeakPolarHBondContact O-CA 3.42Å; L167-G170 PolarHBondContact O-N 2.8Å; G170-G172 PolarHBondContact O-N 3Å; G170-R177 CarbonylContact C-O 3.55Å
171L58.7Low60.8Low55 Ų55109.2 Ų109.229%0.28859%0.586SS.*SBendtrans-81.594.1172.3-65.8164.5000109L167 C168 R169 L178L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.23Å; L167-L171 PolarHBondContact O-N 2.77Å; C168-L171 CarbonylContact O-C 3.53Å; C168-L171 PolarHBondContact O-N 2.84Å; R169-L171 VanDerWaalsContact C-N 3.35Å; L171-L178 HydrophobicContact CD1-CD2 4.46Å; L171-L178 HydrophobicContact CD2-CD2 4.11Å; L171-L178 HydrophobicContact CD2-CG 3.96Å; L171-L178 HydrophobicContact CG-CD2 4.06Å; L171-L178 HydrophobicContact CG-CG 4.46Å
172G54.3Low58.6Low40 Ų40115.3 Ų115.341%0.41262%0.615SS.*  trans-50.9160.6170.400000112.3G170 G174 G175G170-G172 PolarHBondContact O-N 3Å; G172-G174 PolarHBondContact O-N 3.28Å; G172-G175 PolarHBondContact O-N 2.87Å
173P46Very low56.1Low151 Ų151112.5 Ų112.598%0.98162%0.621SS**THydrogen-bonded Turntrans-56.6101.9179.824.1-32.2000109.1
174G55.3Low53.8Low68 Ų68113.8 Ų113.870%0.70164%0.638SS**THydrogen-bonded Turntrans128.9-2.3-169.600000116.4G172 R176G172-G174 PolarHBondContact O-N 3.28Å; G174-R176 PolarHBondContact O-N 3.26Å; G174-R176 VanDerWaalsContact O-N 3.16Å
175G47.1Very low51.4Low51 Ų51117.5 Ų117.553%0.52666%0.658SS.*SBendtrans63.526.416000000117G172G172-G175 PolarHBondContact O-N 2.87Å
176R49.2Very low49.3Very low215 Ų215117.2 Ų117.281%0.81167%0.665SS**  trans-115.815.2-172.9-80.1-170.2-162.4-106.55.5116.8G174G174-R176 PolarHBondContact O-N 3.26Å; G174-R176 VanDerWaalsContact O-N 3.16Å
177R43.8Very low46.8Very low190 Ų190122.6 Ų122.672%0.71768%0.682SS**  trans-148.1112.9172.4-63.7-173.1-166.2-97.92.4110.9G170G170-R177 CarbonylContact C-O 3.55Å
178L39.3Very low44.6Very low118 Ų118128.3 Ų128.362%0.61871%0.707SS**  trans-97.1105.1155.4-76.9167.6000106.1L167 L171L167-L178 HydrophobicContact CB-CD2 4.4Å; L167-L178 HydrophobicContact CD2-CD2 3.55Å; L171-L178 HydrophobicContact CD1-CD2 4.46Å; L171-L178 HydrophobicContact CD2-CD2 4.11Å; L171-L178 HydrophobicContact CD2-CG 3.96Å; L171-L178 HydrophobicContact CG-CD2 4.06Å; L171-L178 HydrophobicContact CG-CG 4.46Å
179K42.9Very low42.5Very low188 Ų188133.5 Ų133.582%0.81773%0.725SS**  trans-76.9121159.5-69.7-174.1177.8-176.20106
180S34.2Very low40.3Very low102 Ų102129.6 Ų129.671%0.71372%0.72SS**  trans-56.1133.7174.1-172.70000109.3Q182S180-Q182 PolarHBondContact O-N 2.91Å; S180-Q182 VanDerWaalsContact O-N 3.07Å
181P37Very low38.5Very low118 Ų118135.6 Ų135.677%0.76674%0.742SS**  trans-73.3103.2176.628.4-29.5000109.1
182Q33.4Very low37.1Very low187 Ų187142.5 Ų142.587%0.87476%0.764SS**PPolyproline II helixtrans-69.3142156.2-83177.6-34.700108.8S180S180-Q182 PolarHBondContact O-N 2.91Å; S180-Q182 VanDerWaalsContact O-N 3.07Å
183S29.1Very low35.7Very low110 Ų110147.4 Ų147.477%0.76978%0.781SS**PPolyproline II helixtrans-52.7145.9-177.244.90000113.1
184P32Very low35Very low125 Ų125145.6 Ų145.681%0.81277%0.772SS**PPolyproline II helixtrans-78.9122.9178.230.7-28.9000110.3
185D26.3Very low33.7Very low161 Ų161151.6 Ų151.686%0.86178%0.782SS**PPolyproline II helixtrans-88.9145.4150.4-106.2-25.4000108.9
186P34.9Very low32.6Very low100 Ų100157.9 Ų157.965%0.64980%0.797SS**PPolyproline II helixtrans-93.2162.4-166.338.8-34.1000112.3
187E28.6Very low32.1Very low186 Ų186153.4 Ų153.487%0.86980%0.796SS**  trans86.898.8163.2-48.7-171.6172.100116.6
188E30.2Very low31.2Very low198 Ų198148.2 Ų148.293%0.92580%0.802SS**  -153120.1114-104.7-178.8-168.200109.6
189E30.2Very low30.7Very low180 Ų180152.2 Ų152.284%0.84181%0.814SS**  trans-72.9150.2174.8-84.5178.2143.800112
190D29Very low30Very low135 Ų135155.3 Ų155.372%0.72282%0.821SS**  trans50.7110.7148.5-78.4-18.7000119.7
191N27Very low29.6Very low169 Ų169160.3 Ų160.390%0.90482%0.824SS**  -148.9122.6106.9-136.5-13.5000112.4
192R30.1Very low29.2Very low200 Ų200164.5 Ų164.576%0.75583%0.83SS**  trans-77.6164.5168.3-91.1-178.9-178-121.31.2110.4
193D24.8Very low28.7Very low143 Ų143162.3 Ų162.377%0.76582%0.82SS**  trans90.8106.3158.1-57.9-25.7000117
194S30.6Very low28.5Very low114 Ų114162.1 Ų162.180%0.79782%0.818SS**  -177.7101.5110.9-74.10000112.4
195Q27.7Very low28.2Very low193 Ų193164.8 Ų164.890%0.90282%0.82SS**  trans34.6118133.3-59.6-176.5-16.800121.1
196Q24.6Very low28.1Very low183 Ų183165.2 Ų165.286%0.85582%0.817SS**  trans-65.1-178.1144.4-77.2-173.9-2100111.2
197P38.3Very low27.6Very low121 Ų121169.7 Ų169.779%0.78683%0.829SS**  cis-136.5177.5-11.219.26.8000114
198G25.6Very low27.4Very low81 Ų81165.3 Ų165.384%0.83583%0.825SS**  trans-153.1100.116700000114.5
199K28.5Very low27Very low202 Ų202160.7 Ų160.788%0.87882%0.821SS**  trans-64.1146.7175.3-68.2168.31731740112.7
200R27.3Very low26.7Very low253 Ų253157.3 Ų157.396%0.95582%0.817SS**  -165.3123.1127.2-111.2172.6-176.8-1781.2113.5
201R26.9Very low27Very low208 Ų208156.4 Ų156.479%0.78582%0.818SS**  trans-69.9149164.8-98.3174150.4165.9-8.3111.1E203R201-E203 IonicContact CZ-OE1 3.48Å; R201-E203 IonicContact NE-OE1 2.69Å; R201-E203 PolarHBondContact NE-OE1 3.37Å; R201-E203 IonicContact NH2-OE1 3.17Å; R201-E203 PolarHBondContact NH2-OE1 3.08Å
202K27.6Very low26.8Very low205 Ų205156.3 Ų156.389%0.89181%0.812SS**  trans-151.3121138.2-163.5163.3-178178.40110.3
203E22.6Very low26.6Very low142 Ų142150.1 Ų150.166%0.66481%0.811SS**  trans-98.9152.6174.6-75.3160.3-171.800110.1R201R201-E203 IonicContact CZ-OE1 3.48Å; R201-E203 IonicContact NE-OE1 2.69Å; R201-E203 PolarHBondContact NE-OE1 3.37Å; R201-E203 IonicContact NH2-OE1 3.17Å; R201-E203 PolarHBondContact NH2-OE1 3.08Å
204S25.2Very low26.6Very low105 Ų105152.1 Ų152.173%0.73481%0.813SS**  trans172.7103.8149.247.50000107.8
205E25.4Very low26.5Very low181 Ų181158.1 Ų158.185%0.84682%0.818SS**  54.2136.385.1-76.7-175.6162.400113.5
206E24.8Very low26.4Very low170 Ų170155.3 Ų155.379%0.79481%0.813SS**  cis-159.1155.8-9.4-92.1-176.5145.400103.4
207E23.8Very low26.6Very low195 Ų195152.3 Ų152.391%0.91181%0.81SS**  175.6165.388.4-131.4-175.1171.200111.3
208A24.4Very low26.1Very low94 Ų94155.5 Ų155.578%0.77781%0.811SS**  trans-77.4159-158.300000118.5
209A23.5Very low26.1Very low101 Ų101163.5 Ų163.584%0.83582%0.816SS**  163.3123.311700000112.7
210S24.1Very low25.9Very low109 Ų109163.5 Ų163.576%0.76282%0.817SS**  trans-77.6157.6160.3-1550000108.8
211P34.7Very low25.7Very low116 Ų116162.3 Ų162.375%0.75381%0.812SS**  -145.4143.668.431.4-8.4000117.3
212E23Very low25.4Very low166 Ų166157.1 Ų157.178%0.77681%0.807SS**  45.7116.7123.9-146.7159.6-159.700120.6
213G24.9Very low25.5Very low70 Ų70158.4 Ų158.472%0.72281%0.806SS**  trans-160.177.216800000112.3R215G213-R215 PolarHBondContact O-N 2.99Å
214K25.8Very low25.5Very low186 Ų186159.9 Ų159.981%0.80981%0.813SS**  trans-58.9116.2168.4-72173.4179.6168.70109.6
215R28.2Very low25.6Very low240 Ų240163.4 Ų163.491%0.90682%0.818SS**  trans-126.4111.5160.1-77.6-173.4179169.91.4109.7G213G213-R215 PolarHBondContact O-N 2.99Å
216V25.3Very low25.6Very low133 Ų133164 Ų16481%0.80682%0.821SS**PPolyproline II helixtrans-63.5134.2172.5178.40000109.4
217P28.9Very low25.6Very low120 Ų120164.2 Ų164.278%0.77982%0.822SS**PPolyproline II helixtrans-73.8129.3171.6-12.227.9000110.7
218K28.1Very low25.7Very low188 Ų188164.3 Ų164.382%0.81782%0.822SS**PPolyproline II helixtrans-61.5130.2172.6-74.2175.2174177.90110.5F220K218-F220 PolarHBondContact O-N 3.14Å
219R25Very low25.7Very low249 Ų249166.9 Ų166.994%0.9482%0.823SS**PPolyproline II helixtrans-51122.2162.2-96.6175.5168.5163.7-4.7109.4
220F23.8Very low25.8Very low202 Ų202171 Ų17189%0.88683%0.825SS**PPolyproline II helixtrans-91.8117.2161.8-88.1-92.1000108.2K218K218-F220 PolarHBondContact O-N 3.14Å
221R24.1Very low25.9Very low229 Ų229174 Ų17486%0.86483%0.827SS**PPolyproline II helixtrans-67.9138.1163.6-83.9-176.9-173.4178.81108.2
222C20.7Very low25.4Very low99 Ų99177.9 Ų177.967%0.66984%0.835SS**PPolyproline II helixtrans-99.9128.4170.5-157.20000107.9
223W29Very low25.5Very low231 Ų231181.4 Ų181.488%0.87584%0.841SS**  trans76.8105.2172.2-47.8108.3000118.7
224E23.3Very low25.7Very low173 Ų173183.7 Ų183.781%0.80884%0.843SS**  trans-123.8132.2136.5-84.8171177.600105.9
225E27.5Very low25.6Very low179 Ų179184.1 Ų184.184%0.83685%0.848SS**  trans-66.2134.9172.3-75.6161.2145.900109.5
226E25Very low25.4Very low194 Ų194180.6 Ų180.691%0.90784%0.842SS**  trans-111.598.9156-76.3-177.6166.800106.7
227E25.4Very low25.3Very low175 Ų175184.1 Ų184.182%0.81885%0.846SS**  trans-74.2124.5153.3-69.2-176.2154.300107.6
228E24.8Very low25.2Very low196 Ų196182.9 Ų182.992%0.91684%0.84SS**  trans-127.7104149.3-84.7-171.9164.400107.5
229D24.1Very low25.2Very low149 Ų149182.1 Ų182.180%0.79784%0.844SS**  trans-63.9132.5160.4-115.9-19.2000109
230E26.1Very low25.1Very low188 Ų188178.8 Ų178.888%0.87984%0.839SS**  trans-133.4106.2149-90.8-81.7156.700106.5
231E25.5Very low25.3Very low171 Ų171174.1 Ų174.180%0.79983%0.832SS**  trans-60.6125.5170.5-69-179.5129.300110.6
232E24.8Very low25.5Very low197 Ų197171.2 Ų171.292%0.92183%0.832SS**  trans-133.4123.6138.5-84-160.6159.200110.9
233R26.1Very low25.7Very low240 Ų240170.8 Ų170.891%0.90684%0.836SS**PPolyproline II helixtrans-73145-171-154178.9-166.3-177.95.3111.5
234P28.2Very low25.5Very low118 Ų118168 Ų16877%0.76684%0.838SS**PPolyproline II helixtrans-87.5129.5175.532.7-29.4000111.1
235E23.8Very low25.6Very low196 Ų196163 Ų16392%0.91683%0.834SS**PPolyproline II helixtrans-87.3133.2162.8-78.5-166.116300111.3
236H24.4Very low25.5Very low166 Ų166158.6 Ų158.677%0.76984%0.836SS**  trans-44.6145.4178.1-81-108.4000115.9
237K23.8Very low25.5Very low207 Ų207152.9 Ų152.990%0.983%0.83SS**  -156.3108.1122.4-107.4162.3-169.5175.20111.6
238S26.7Very low25.6Very low94 Ų94149.5 Ų149.566%0.65783%0.831SS**  trans-60.7143159.4-49.90000110.6
239L27Very low26.2Very low171 Ų171145.6 Ų145.690%0.89583%0.825SS**  trans-149.8108.2143.6-125.9125.9000109.5
240E23.4Very low27Very low179 Ų179143.6 Ų143.684%0.83682%0.821SS**  trans-69.4141.2159.8-71.4172.813600110.1
241S28Very low27.1Very low105 Ų105141.6 Ų141.673%0.73482%0.815SS**  trans-163.1100139.758.40000106.6
242L27.8Very low27.3Very low167 Ų167142.2 Ų142.287%0.87482%0.815SS**  63.5120.587.8-79.5173.3000114.7
243A25.4Very low27.4Very low91 Ų91140.1 Ų140.175%0.75281%0.81SS**  trans101.8135.9137.100000119.4
244D25Very low27.5Very low171 Ų171137.3 Ų137.391%0.91481%0.807SS**  trans69.5130.5160.8-88.40.6000118.2
245G25.1Very low28.1Very low70 Ų70136.6 Ų136.672%0.72280%0.803SS**  cis148.4137.412.800000108.5
246G26Very low28.2Very low86 Ų86134.5 Ų134.589%0.88780%0.803SS**  trans89.1131170.900000113.9
247G24.5Very low28.2Very low74 Ų74135.1 Ų135.176%0.76381%0.808SS**  cis143.5131.712.900000108.2
248A28Very low28.2Very low103 Ų103128.9 Ų128.985%0.85180%0.802SS**  trans71.8103.215800000120
249S35.9Very low28Very low114 Ų114129.6 Ų129.680%0.79781%0.814SS**  -80.4161.2120.3-63.70000107.6
250P41.6Very low28.1Very low108 Ų108130.9 Ų130.970%0.70181%0.812SS**  cis-156-1574336.3-9.4000115.2
251I28.8Very low28.3Very low146 Ų146129.7 Ų129.775%0.74982%0.817SS**  trans107.799.8161.1-56.7158.7000112.1
252K29.4Very low28.1Very low183 Ų183128.4 Ų128.480%0.79682%0.82SS**  65.6109.667.2-154.4-175.7-170.7-176.20112.7
253D26.6Very low28.2Very low154 Ų154129.3 Ų129.382%0.82482%0.82SS**  -179.5130.6129.3-84.8-22.1000112.9
254Q27.1Very low28.2Very low180 Ų180133 Ų13384%0.84183%0.828SS**  trans-94.8-175.3155.8-99-171.510.200107.4
255P41.8Very low28.2Very low104 Ų104128.4 Ų128.468%0.67582%0.82SS**  cis-131167.7-4235.4-19.7000111.3
256V24.8Very low28.3Very low151 Ų151130.9 Ų130.992%0.91583%0.826SS**  trans-144.9136.2155.3-179.70000111.7
257M26.1Very low28.4Very low180 Ų180131.3 Ų131.389%0.88782%0.816SS**  trans-66.7142.6178.5-78.1-110-72.400116.1
258G22.9Very low28.8Very low75 Ų75136.2 Ų136.277%0.77382%0.824SS**  92.6113.1116.100000119.8
259A23.4Very low29Very low109 Ų109139.7 Ų139.790%0.90182%0.822SS**  -170.5127.9123.700000110.9
260K28.6Very low28.7Very low199 Ų199141.7 Ų141.787%0.86582%0.824SS**  trans-84.5155.6178.2-66.4174173.5178.90111.4
261T27Very low28.3Very low153 Ų153141.4 Ų141.494%0.93983%0.831SS**  trans172.4135.6135.928.30000106.9
262G25.1Very low28.4Very low78 Ų78144 Ų14480%0.80484%0.837SS**  cis-159162.93.400000109.7
263Q29.5Very low28.4Very low187 Ų187138.6 Ų138.687%0.87483%0.833SS**  trans-69.4147.2-176.6-73.5160.2-78.900113.6
264D25.3Very low28.7Very low169 Ų169138 Ų13890%0.90483%0.829SS**  -166124.3120.3-85.6-20.7000105
265G24Very low29.3Very low73 Ų73134.1 Ų134.175%0.75383%0.828SS**  cis11470.519.400000110.3
266S27.6Very low29.8Very low122 Ų122135.7 Ų135.785%0.85383%0.826SS**  trans175.5129.7138.463.20000113.7
267S28.5Very low31.6Very low96 Ų96133.8 Ų133.867%0.67182%0.819SS**  trans76.175158.1-1540000118.6
268L32.7Very low34.1Very low177 Ų177128.1 Ų128.193%0.92779%0.792SS**  trans-118.254.6150.4-147.8141.3000107.2
269E31.7Very low37.3Very low175 Ų175131.2 Ų131.282%0.81879%0.787SS**  trans-147.968.3176-77.4-161.915600109.8
270D30.7Very low40.4Very low156 Ų156126.4 Ų126.483%0.83475%0.746SS**SBendtrans-151.124.6165.3-91.7-35.9000112.9
271A31.8Very low43.4Very low102 Ų102118.1 Ų118.184%0.84371%0.712SS**SBendtrans-136.925.9175.800000113.7
272K31.5Very low46.3Very low201 Ų201119 Ų11987%0.87470%0.703SS**SBendtrans-1288.3174.3-97.1-178.8178.5177.90114.1
273G29.8Very low49.3Very low70 Ų70117.4 Ų117.472%0.72268%0.682SS**THydrogen-bonded Turntrans-101.466.3-179.900000112.6
274L32.9Very low52.2Low142 Ų142108.5 Ų108.574%0.74364%0.64SS**THydrogen-bonded Turntrans-175.237.5161.5-103.7152.6000110.6E276L274-E276 HydrophobicContact CD2-CG 3.84Å; L274-E276 PolarHBondContact O-N 2.69Å
275A40.7Very low55.4Low98 Ų98104.5 Ų104.581%0.8162%0.617SS**  trans-71.180156.700000106S277A275-S277 PolarHBondContact O-N 3.25Å; A275-S277 VanDerWaalsContact O-N 3.17Å
276E50.8Low58.5Low137 Ų137106.7 Ų106.764%0.6461%0.611SS**  trans-50.5125.3170.6-70.2-178.2165.200106.7L274 L278L274-E276 HydrophobicContact CD2-CG 3.84Å; L274-E276 PolarHBondContact O-N 2.69Å; E276-L278 PolarHBondContact O-N 3.42Å
277S63.1Low61.6Low110 Ų110103.4 Ų103.477%0.76958%0.582SS**  trans-64.671.5168.9540000108.2A275 E279A275-S277 PolarHBondContact O-N 3.25Å; A275-S277 VanDerWaalsContact O-N 3.17Å; S277-E279 PolarHBondContact O-N 3.47Å; S277-E279 VanDerWaalsContact O-N 3.15Å
278L79.3Confident64.6Low61 Ų61100.1 Ų100.132%0.31956%0.557SS.*  trans-78.6102.8-176.9-166.283.2000106.9E276 S322 Q323 L326E276-L278 PolarHBondContact O-N 3.42Å; L278-S322 VanDerWaalsContact CD2-C 3.44Å; L278-S322 WeakPolarHBondContact CD2-O 3.38Å; L278-Q323 HydrophobicContact CD2-CG 4.17Å; L278-Q323 HydrophobicContact CG-CG 4.2Å; L278-L326 HydrophobicContact CD2-CB 4.38Å; L278-L326 HydrophobicContact CD2-CD2 4.42Å; L278-L326 WeakPolarHBondContact O-CD2 3.34Å
279E88.8Confident67.4Low140 Ų14095.7 Ų95.765%0.65454%0.539SS*.PPolyproline II helixtrans-87.5138.5178.1-65.3-175.6174.500110.2S277 Q323S277-E279 PolarHBondContact O-N 3.47Å; S277-E279 VanDerWaalsContact O-N 3.15Å; E279-Q323 PolarHBondContact O-NE2 3.39Å
280L89.8Confident70.3Confident9 Ų993.8 Ų93.85%0.04752%0.524CS..PPolyproline II helixtrans-68.2154.1171.1-68.7176000110K282 I284 Q285 Q323 L326 L327L280-K282 PolarHBondContact O-N 3.23Å; L280-I284 HydrophobicContact CB-CG2 4.11Å; L280-I284 HydrophobicContact CD1-CG2 3.96Å; L280-I284 HydrophobicContact CG-CG2 4.43Å; L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 2.97Å; L280-Q323 HydrophobicContact CD2-CB 4.11Å; L280-Q323 VanDerWaalsContact CD2-O 3.25Å; L280-Q323 WeakPolarHBondContact CD2-O 3.49Å; L280-L326 HydrophobicContact CD2-CB 4.25Å; L280-L326 HydrophobicContact CD2-CD2 4.02Å; L280-L326 HydrophobicContact CD2-CG 4.17Å; L280-L326 HydrophobicContact CG-CD2 3.98Å; L280-L326 HydrophobicContact CG-CG 4.38Å; L280-L327 HydrophobicContact CD1-CD1 4.21Å; L280-L327 HydrophobicContact CD2-CB 3.96Å
281P91.1Very high73.2Confident24 Ų2486.6 Ų86.616%0.15649%0.485CS..PPolyproline II helixtrans-53.8140.1170.7-24.134.1000111A283 I284 Q285 E318P281-A283 VanDerWaalsContact C-N 3.26Å; P281-A283 PolarHBondContact O-N 2.9Å; P281-I284 HydrophobicContact CB-CB 4.43Å; P281-I284 HydrophobicContact CB-CG1 4.3Å; P281-I284 HydrophobicContact CG-CG1 4.38Å; P281-I284 WeakPolarHBondContact O-CA 2.91Å; P281-I284 WeakPolarHBondContact O-CB 3.41Å; P281-I284 PolarHBondContact O-N 2.96Å; P281-Q285 PolarHBondContact O-N 2.92Å; P281-E318 HydrophobicContact CB-CB 4.34Å; P281-E318 HydrophobicContact CG-CB 4.32Å; P281-E318 WeakPolarHBondContact CG-O 3.38Å
282K88.3Confident76Confident172 Ų17285.4 Ų85.475%0.74846%0.463SS*.Hα-helixtrans-53.1-43.6-176.4-67.5-177.2179.2-179.40112.7L280 I284 Q285 D286L280-K282 PolarHBondContact O-N 3.23Å; K282-I284 PolarHBondContact O-N 3.15Å; K282-Q285 PolarHBondContact O-N 3.28Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; K282-D286 VanDerWaalsContact O-CG 3.22Å; K282-D286 PolarHBondContact O-N 3.41Å
283A88.2Confident78.9Confident44 Ų4482.2 Ų82.236%0.36445%0.451SS..Hα-helixtrans-58.3-35.2176.200000113.1P281 Q287 L315P281-A283 VanDerWaalsContact C-N 3.26Å; P281-A283 PolarHBondContact O-N 2.9Å; A283-Q287 WeakPolarHBondContact O-CB 3.15Å; A283-Q287 WeakPolarHBondContact O-CG 3.23Å; A283-Q287 PolarHBondContact O-N 3.38Å; A283-L315 HydrophobicContact CB-CD2 4.35Å
284I90.5Very high81.7Confident0 Ų080.7 Ų80.70%043%0.426CS..Hα-helixtrans-74.5-42.3174.9-70.7-75.3000110.8L280 P281 K282 D286 Q287 L288 L291 L315 L327L280-I284 HydrophobicContact CB-CG2 4.11Å; L280-I284 HydrophobicContact CD1-CG2 3.96Å; L280-I284 HydrophobicContact CG-CG2 4.43Å; P281-I284 HydrophobicContact CB-CB 4.43Å; P281-I284 HydrophobicContact CB-CG1 4.3Å; P281-I284 HydrophobicContact CG-CG1 4.38Å; P281-I284 WeakPolarHBondContact O-CA 2.91Å; P281-I284 WeakPolarHBondContact O-CB 3.41Å; P281-I284 PolarHBondContact O-N 2.96Å; K282-I284 PolarHBondContact O-N 3.15Å; I284-D286 VanDerWaalsContact C-N 3.3Å; I284-D286 PolarHBondContact O-N 3.26Å; I284-Q287 CarbonylContact O-C 3.53Å; I284-Q287 PolarHBondContact O-N 3.4Å; I284-L288 WeakPolarHBondContact O-CA 3.12Å; I284-L288 WeakPolarHBondContact O-CB 3.15Å; I284-L288 PolarHBondContact O-N 3.33Å; I284-L291 HydrophobicContact CD1-CD1 4.41Å; I284-L315 HydrophobicContact CD1-CB 3.33Å; I284-L315 HydrophobicContact CD1-CD1 4.42Å; I284-L315 HydrophobicContact CG1-CB 4.16Å; I284-L327 HydrophobicContact CD1-CD2 4.15Å; I284-L327 HydrophobicContact CG2-CD1 3.7Å; I284-L327 HydrophobicContact CG2-CD2 4.13Å; I284-L327 HydrophobicContact CG2-CG 4.47Å
285Q90.9Very high84.4Confident86 Ų8674.6 Ų74.640%0.40239%0.394SS..Hα-helixtrans-58.5-44.9177.6-65.4-173.824.900111.3L280 P281 K282 Q287 L288L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 2.97Å; P281-Q285 PolarHBondContact O-N 2.92Å; K282-Q285 PolarHBondContact O-N 3.28Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; Q285-Q287 VanDerWaalsContact C-N 3.3Å; Q285-Q287 PolarHBondContact O-N 2.72Å; Q285-L288 WeakPolarHBondContact O-CB 3.46Å; Q285-L288 PolarHBondContact O-N 2.82Å
286D90.4Very high86.7Confident118 Ų11876.2 Ų76.263%0.63138%0.383SS*.Hα-helixtrans-66.7-32.3-179.7-63.5-24.9000112.3K282 I284K282-D286 VanDerWaalsContact O-CG 3.22Å; K282-D286 PolarHBondContact O-N 3.41Å; I284-D286 VanDerWaalsContact C-N 3.3Å; I284-D286 PolarHBondContact O-N 3.26Å
287Q91.8Very high88.4Confident53 Ų5371.6 Ų71.625%0.24836%0.364CS..Hα-helixtrans-97.9-1.6-178.5-59.5-57.6-34.100113.9A283 I284 Q285 P289 R290 L291 L315A283-Q287 WeakPolarHBondContact O-CB 3.15Å; A283-Q287 WeakPolarHBondContact O-CG 3.23Å; A283-Q287 PolarHBondContact O-N 3.38Å; I284-Q287 CarbonylContact O-C 3.53Å; I284-Q287 PolarHBondContact O-N 3.4Å; Q285-Q287 VanDerWaalsContact C-N 3.3Å; Q285-Q287 PolarHBondContact O-N 2.72Å; Q287-P289 VanDerWaalsContact C-CD 3.49Å; Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.14Å; Q287-L291 PolarHBondContact O-N 3.07Å; Q287-L315 HydrophobicContact CB-CD1 3.86Å; Q287-L315 HydrophobicContact CG-CD1 3.71Å
288L92Very high89.4Confident27 Ų2766.4 Ų66.414%0.14133%0.327CS..Hα-helixtrans-56-43.7-178.5-176.469.3000113.1I284 Q285 R290 L291 Q292 L327 Q330 L331I284-L288 WeakPolarHBondContact O-CA 3.12Å; I284-L288 WeakPolarHBondContact O-CB 3.15Å; I284-L288 PolarHBondContact O-N 3.33Å; Q285-L288 WeakPolarHBondContact O-CB 3.46Å; Q285-L288 PolarHBondContact O-N 2.82Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 PolarHBondContact O-N 2.92Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.31Å; L288-Q292 PolarHBondContact O-N 2.99Å; L288-L327 HydrophobicContact CD1-CD1 3.64Å; L288-Q330 HydrophobicContact CD1-CB 4.38Å; L288-L331 HydrophobicContact CD1-CD2 3.76Å; L288-L331 HydrophobicContact CD1-CG 4.31Å
289P92.5Very high89.4Confident84 Ų8467.6 Ų67.655%0.54533%0.331SS..Hα-helixtrans-62.3-34.8176.8-21.934.3000112.6Q287 Q292 Q293Q287-P289 VanDerWaalsContact C-CD 3.49Å; P289-Q292 PolarHBondContact O-N 2.87Å; P289-Q293 WeakPolarHBondContact O-CB 3.07Å; P289-Q293 PolarHBondContact O-N 3.32Å
290R90.7Very high89Confident135 Ų13567.1 Ų67.151%0.50933%0.329SS..Hα-helixtrans-69.6-43176.6-64.5-160.3-172.5-177.9-4.9111.5Q287 L288 Q292 Q293 L294 E312Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.14Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 PolarHBondContact O-N 2.92Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 2.85Å; R290-Q293 WeakPolarHBondContact O-CB 2.89Å; R290-Q293 PolarHBondContact O-N 3.08Å; R290-Q293 VanDerWaalsContact O-N 3.15Å; R290-L294 WeakPolarHBondContact O-CG 3.19Å; R290-L294 PolarHBondContact O-N 3.48Å; R290-E312 IonicContact NH1-OE1 3.49Å; R290-E312 PolarHBondContact NH1-OE1 2.67Å
291L91.6Very high87.8Confident5 Ų568.1 Ų68.13%0.02634%0.341CS..Hα-helixtrans-59.7-42.5174.7-71.9170.9000111.5I284 Q287 L288 Q293 L294 L295 E312 L313 L331I284-L291 HydrophobicContact CD1-CD1 4.41Å; Q287-L291 PolarHBondContact O-N 3.07Å; L288-L291 PolarHBondContact O-N 3.39Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.49Å; L291-L294 HydrophobicContact CD2-CD1 4.45Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.07Å; L291-E312 HydrophobicContact CD2-CB 3.79Å; L291-E312 HydrophobicContact CG-CB 4.38Å; L291-L313 HydrophobicContact CD2-CD1 4.2Å; L291-L331 HydrophobicContact CB-CD2 3.72Å
292Q92.4Very high86Confident78 Ų7872 Ų7236%0.36436%0.36SS..Hα-helixtrans-63.9-38.5174.6-71.6177.8-16.100112.5L288 P289 R290 L295 K296 Q330 L331L288-Q292 WeakPolarHBondContact O-CG 3.31Å; L288-Q292 PolarHBondContact O-N 2.99Å; P289-Q292 PolarHBondContact O-N 2.87Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 2.85Å; Q292-L295 PolarHBondContact O-N 3.29Å; Q292-K296 PolarHBondContact O-N 3.24Å; Q292-K296 VanDerWaalsContact O-N 3.14Å; Q292-Q330 PolarHBondContact NE2-O 3.43Å; Q292-Q330 VanDerWaalsContact NE2-O 3.08Å; Q292-L331 HydrophobicContact CG-CD2 3.78Å
293Q90.8Very high83.9Confident133 Ų13373.6 Ų73.662%0.62137%0.37SS*.Hα-helixtrans-64.8-43.5175.2-174.3174.43.300111.5P289 R290 L291 L295 K296 T297P289-Q293 WeakPolarHBondContact O-CB 3.07Å; P289-Q293 PolarHBondContact O-N 3.32Å; R290-Q293 WeakPolarHBondContact O-CB 2.89Å; R290-Q293 PolarHBondContact O-N 3.08Å; R290-Q293 VanDerWaalsContact O-N 3.15Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.49Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.05Å; Q293-K296 PolarHBondContact O-N 3.32Å; Q293-T297 WeakPolarHBondContact O-CG2 3.49Å; Q293-T297 PolarHBondContact O-N 3.43Å
294L89.1Confident82Confident39 Ų3975.1 Ų75.120%0.20439%0.39CS..Hα-helixtrans-59-42.8175.7-71.6168.8000111.6R290 L291 K296 T297 L298 P310 E312R290-L294 WeakPolarHBondContact O-CG 3.19Å; R290-L294 PolarHBondContact O-N 3.48Å; L291-L294 HydrophobicContact CD2-CD1 4.45Å; L291-L294 PolarHBondContact O-N 2.93Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.95Å; L294-T297 WeakPolarHBondContact CA-OG1 3.12Å; L294-T297 PolarHBondContact O-N 3.17Å; L294-T297 PolarHBondContact O-OG1 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.12Å; L294-L298 PolarHBondContact O-N 2.98Å; L294-L298 VanDerWaalsContact O-N 3.08Å; L294-P310 HydrophobicContact CD1-CB 3.98Å; L294-P310 HydrophobicContact CD1-CG 3.74Å; L294-P310 HydrophobicContact CD2-CB 4.37Å; L294-P310 HydrophobicContact CD2-CG 4.3Å; L294-E312 HydrophobicContact CD1-CB 4.23Å
295L89.7Confident80.3Confident13 Ų1377.7 Ų77.77%0.06840%0.404CS..Hα-helixtrans-62.2-39.5176.1-68.4176.7000112.8L291 Q292 Q293 L298 E299 L331 L333 L336 L344L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.07Å; Q292-L295 PolarHBondContact O-N 3.29Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.05Å; L295-L298 HydrophobicContact CD2-CD1 3.96Å; L295-L298 WeakPolarHBondContact O-CB 3.2Å; L295-L298 PolarHBondContact O-N 3.31Å; L295-E299 PolarHBondContact O-N 3.2Å; L295-L331 HydrophobicContact CD1-CB 3.69Å; L295-L331 HydrophobicContact CD1-CD1 4.27Å; L295-L331 HydrophobicContact CD1-CD2 3.97Å; L295-L331 HydrophobicContact CD1-CG 4.18Å; L295-L331 WeakPolarHBondContact CD1-O 3.16Å; L295-L333 HydrophobicContact CD1-CD2 3.63Å; L295-L333 HydrophobicContact CD2-CD2 4.12Å; L295-L336 HydrophobicContact CB-CD2 4.28Å; L295-L336 HydrophobicContact CD2-CD1 4.3Å; L295-L336 HydrophobicContact CD2-CD2 4.34Å; L295-L344 HydrophobicContact CD2-CD1 4.19Å; L295-L344 HydrophobicContact CD2-CD2 4.01Å
296K88.9Confident78.7Confident133 Ų13381 Ų8158%0.57842%0.419SS*.Hα-helixtrans-63.8-40173.6-71.7179.2179.5179.20112.2Q292 Q293 L294 L298 E299 E300Q292-K296 PolarHBondContact O-N 3.24Å; Q292-K296 VanDerWaalsContact O-N 3.14Å; Q293-K296 PolarHBondContact O-N 3.32Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.95Å; K296-L298 VanDerWaalsContact C-N 3.27Å; K296-L298 PolarHBondContact O-N 3.42Å; K296-E299 WeakPolarHBondContact O-CB 3.05Å; K296-E299 PolarHBondContact O-N 3.02Å; K296-E299 VanDerWaalsContact O-N 3.09Å; K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 3.33Å; K296-E300 VanDerWaalsContact O-N 3.12Å
297T86.8Confident77.4Confident40 Ų4082.2 Ų82.225%0.24543%0.426CS..Hα-helixtrans-65-30.9177.359.70000113Q293 L294 E299 E300Q293-T297 WeakPolarHBondContact O-CG2 3.49Å; Q293-T297 PolarHBondContact O-N 3.43Å; L294-T297 WeakPolarHBondContact CA-OG1 3.12Å; L294-T297 PolarHBondContact O-N 3.17Å; L294-T297 PolarHBondContact O-OG1 3.23Å; T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E300 PolarHBondContact O-N 3.42Å
298L84.3Confident76.7Confident0 Ų082.5 Ų82.50%044%0.437CS..Hα-helixtrans-65.9-37.3172.3-68.3167.9000111.5L294 L295 K296 G301 L305 Q343 L344 W347L294-L298 WeakPolarHBondContact O-CG 3.12Å; L294-L298 PolarHBondContact O-N 2.98Å; L294-L298 VanDerWaalsContact O-N 3.08Å; L295-L298 HydrophobicContact CD2-CD1 3.96Å; L295-L298 WeakPolarHBondContact O-CB 3.2Å; L295-L298 PolarHBondContact O-N 3.31Å; K296-L298 VanDerWaalsContact C-N 3.27Å; K296-L298 PolarHBondContact O-N 3.42Å; L298-G301 PolarHBondContact O-N 3.31Å; L298-L305 HydrophobicContact CD2-CD2 3.28Å; L298-L305 HydrophobicContact CG-CD2 4.2Å; L298-Q343 HydrophobicContact CD2-CB 3.53Å; L298-Q343 HydrophobicContact CD2-CG 4.47Å; L298-Q343 PolarHBondContact O-OE1 3.18Å; L298-L344 HydrophobicContact CD1-CB 4.13Å; L298-L344 HydrophobicContact CD1-CD1 4.43Å; L298-W347 HydrophobicContact CD1-CE3 3.98Å; L298-W347 HydrophobicContact CD1-CH2 4.39Å; L298-W347 HydrophobicContact CD1-CZ3 3.66Å; L298-W347 HydrophobicContact CD2-CD2 4.35Å; L298-W347 HydrophobicContact CD2-CE3 4.04Å; L298-W347 HydrophobicContact CD2-CH2 3.67Å; L298-W347 HydrophobicContact CD2-CZ2 4.01Å; L298-W347 HydrophobicContact CD2-CZ3 3.69Å; L298-W347 HydrophobicContact CG-CE3 4.44Å; L298-W347 HydrophobicContact CG-CH2 4.04Å; L298-W347 HydrophobicContact CG-CZ3 3.82Å
299E80Confident76.2Confident87 Ų8782.4 Ų82.441%0.40744%0.438SS..Hα-helixtrans-71.2-31.3178.6-67-177.1148.200113.1L295 K296 T297 G301 L336L295-E299 PolarHBondContact O-N 3.2Å; K296-E299 WeakPolarHBondContact O-CB 3.05Å; K296-E299 PolarHBondContact O-N 3.02Å; K296-E299 VanDerWaalsContact O-N 3.09Å; T297-E299 VanDerWaalsContact C-N 3.34Å; E299-G301 PolarHBondContact O-N 3.08Å; E299-L336 HydrophobicContact CG-CD2 4.25Å; E299-L336 WeakPolarHBondContact OE1-CA 3.15Å
300E79.8Confident75.9Confident130 Ų13079.7 Ų79.761%0.60742%0.42SS*.THydrogen-bonded Turntrans-73.8-10.6179.4-70.4171.4-172.600113.1K296 T297 L302K296-E300 WeakPolarHBondContact O-CG 3.32Å; K296-E300 PolarHBondContact O-N 3.33Å; K296-E300 VanDerWaalsContact O-N 3.12Å; T297-E300 PolarHBondContact O-N 3.42Å; E300-L302 HydrophobicContact CB-CG 4.35Å; E300-L302 PolarHBondContact O-N 2.95Å
301G63.2Low75.8Confident29 Ų2978.3 Ų78.330%0.29943%0.427SS..THydrogen-bonded Turntrans63.125.8169.200000114.3L298 E299 E303L298-G301 PolarHBondContact O-N 3.31Å; E299-G301 PolarHBondContact O-N 3.08Å; G301-E303 PolarHBondContact O-N 3.07Å; G301-E303 VanDerWaalsContact O-N 3.11Å
302L53.6Low75.7Confident105 Ų10579.6 Ų79.655%0.5543%0.433SS..  trans-62.1115.8-177.2-68.6170.7000110.4E300 G304E300-L302 HydrophobicContact CB-CG 4.35Å; E300-L302 PolarHBondContact O-N 2.95Å; L302-G304 PolarHBondContact O-N 3.47Å
303E44.6Very low75.6Confident206 Ų20676.5 Ų76.596%0.96342%0.418SS*.THydrogen-bonded Turntrans-56.9106.3171-71.4174.9156.800108.9G301G301-E303 PolarHBondContact O-N 3.07Å; G301-E303 VanDerWaalsContact O-N 3.11Å
304G48.8Very low75.6Confident76 Ų7673.2 Ų73.278%0.78440%0.403SS*.THydrogen-bonded Turntrans136.34.5-178.600000115.9L302 E306L302-G304 PolarHBondContact O-N 3.47Å; G304-E306 PolarHBondContact O-N 3.28Å
305L54.1Low75.6Confident54 Ų5473.3 Ų73.328%0.28340%0.404SS..  trans-60124.9168.9-108.675.3000110.2L298 D307 W347L298-L305 HydrophobicContact CD2-CD2 3.28Å; L298-L305 HydrophobicContact CG-CD2 4.2Å; L305-D307 PolarHBondContact O-N 3.49Å; L305-W347 HydrophobicContact CD2-CH2 3.59Å; L305-W347 HydrophobicContact CD2-CZ2 3.28Å; L305-W347 HydrophobicContact CG-CH2 4.39Å; L305-W347 HydrophobicContact CG-CZ2 3.92Å
306E57.6Low75.7Confident157 Ų15773.1 Ų73.173%0.73440%0.403SS*.  trans-57.5132.9171.2-71.1-178.7156.700109.5G304 A308 W347G304-E306 PolarHBondContact O-N 3.28Å; E306-A308 PolarHBondContact O-N 2.99Å; E306-A308 VanDerWaalsContact O-N 3.08Å; E306-W347 PolarHBondContact O-NE1 2.95Å; E306-W347 VanDerWaalsContact O-NE1 3.16Å
307D62.6Low75.9Confident143 Ų14369.5 Ų69.577%0.76539%0.388SS*.SBendtrans-61.4-15.5174.6-74-40.6000112.1L305L305-D307 PolarHBondContact O-N 3.49Å
308A76.8Confident76.1Confident58 Ų5873.6 Ų73.648%0.47940%0.404SS..SBendtrans-78.9136.1178.300000111.4E306E306-A308 PolarHBondContact O-N 2.99Å; E306-A308 VanDerWaalsContact O-N 3.08Å
309P82.5Confident76.4Confident25 Ų2573.9 Ų73.916%0.16241%0.406CS..PPolyproline II helixtrans-68.2134.7177.227.6-32.2000110.2L313 W347 A350 L351P309-L313 HydrophobicContact CB-CD2 4.32Å; P309-W347 HydrophobicContact CB-CB 4.07Å; P309-W347 HydrophobicContact CB-CG 4.39Å; P309-A350 HydrophobicContact CG-CB 3.94Å; P309-L351 HydrophobicContact CB-CD2 4.23Å; P309-L351 HydrophobicContact CG-CD2 4.4Å
310P86.6Confident77.1Confident27 Ų2771.9 Ų71.918%0.17540%0.402CS..PPolyproline II helixtrans-62.8147176.626.1-33.2000110.5L294 E312 L313 Q314 W347L294-P310 HydrophobicContact CD1-CB 3.98Å; L294-P310 HydrophobicContact CD1-CG 3.74Å; L294-P310 HydrophobicContact CD2-CB 4.37Å; L294-P310 HydrophobicContact CD2-CG 4.3Å; P310-E312 PolarHBondContact O-N 3.44Å; P310-E312 VanDerWaalsContact O-N 3.08Å; P310-L313 HydrophobicContact CG-CB 4.41Å; P310-L313 VanDerWaalsContact O-CB 3.28Å; P310-L313 WeakPolarHBondContact O-CB 3.35Å; P310-L313 PolarHBondContact O-N 2.9Å; P310-Q314 PolarHBondContact O-OE1 2.99Å; P310-W347 HydrophobicContact CG-CE3 4.1Å; P310-W347 HydrophobicContact CG-CH2 4.16Å; P310-W347 HydrophobicContact CG-CZ3 3.88Å
311V87.6Confident77.8Confident107 Ų10768.1 Ų68.165%0.64839%0.388SS*.G310 helixtrans-58.1-26.8-173.669.80000113.2L313 Q314V311-L313 PolarHBondContact O-N 3.18Å; V311-Q314 PolarHBondContact O-N 3.1Å; V311-Q314 PolarHBondContact O-OE1 2.95Å
312E89.8Confident79.2Confident32 Ų3270 Ų7015%0.1540%0.397CS..G310 helixtrans-63.6-27.4176.1-66.879.9-178.900112.2R290 L291 L294 P310 Q314 L315R290-E312 IonicContact NH1-OE1 3.49Å; R290-E312 PolarHBondContact NH1-OE1 2.67Å; L291-E312 HydrophobicContact CD2-CB 3.79Å; L291-E312 HydrophobicContact CG-CB 4.38Å; L294-E312 HydrophobicContact CD1-CB 4.23Å; P310-E312 PolarHBondContact O-N 3.44Å; P310-E312 VanDerWaalsContact O-N 3.08Å; E312-Q314 VanDerWaalsContact C-N 3.3Å; E312-Q314 PolarHBondContact O-N 3.03Å; E312-L315 VanDerWaalsContact O-CB 3.28Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 WeakPolarHBondContact O-CG 3.38Å; E312-L315 PolarHBondContact O-N 2.87Å
313L89.6Confident81.2Confident12 Ų1266.9 Ų66.96%0.06338%0.38CS..G310 helixtrans-74.4-21.8-179.3-14077.6000112.1L291 P309 P310 V311 L315 L316 L344 W347 L348 L351L291-L313 HydrophobicContact CD2-CD1 4.2Å; P309-L313 HydrophobicContact CB-CD2 4.32Å; P310-L313 HydrophobicContact CG-CB 4.41Å; P310-L313 VanDerWaalsContact O-CB 3.28Å; P310-L313 WeakPolarHBondContact O-CB 3.35Å; P310-L313 PolarHBondContact O-N 2.9Å; V311-L313 PolarHBondContact O-N 3.18Å; L313-L315 PolarHBondContact O-N 3.35Å; L313-L316 HydrophobicContact CG-CD1 4.05Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 WeakPolarHBondContact O-CG 3.31Å; L313-L316 PolarHBondContact O-N 2.86Å; L313-L344 HydrophobicContact CD1-CD1 4.43Å; L313-W347 HydrophobicContact CD2-CB 3.74Å; L313-L348 HydrophobicContact CD2-CD2 3.91Å; L313-L348 HydrophobicContact CD2-CG 4.43Å; L313-L348 HydrophobicContact CG-CD2 4.38Å; L313-L351 HydrophobicContact CB-CD2 4.17Å; L313-L351 HydrophobicContact CD2-CD2 4.38Å
314Q90.8Very high83.7Confident64 Ų6457.1 Ų57.130%0.29933%0.334SS..G310 helixtrans-68.2-21.3173.2-74.176.7-6.600111.4P310 V311 E312 L316 H317 L351P310-Q314 PolarHBondContact O-OE1 2.99Å; V311-Q314 PolarHBondContact O-N 3.1Å; V311-Q314 PolarHBondContact O-OE1 2.95Å; E312-Q314 VanDerWaalsContact C-N 3.3Å; E312-Q314 PolarHBondContact O-N 3.03Å; Q314-L316 PolarHBondContact O-N 3.42Å; Q314-L316 VanDerWaalsContact O-N 3.13Å; Q314-H317 WeakPolarHBondContact O-CB 3.24Å; Q314-H317 PolarHBondContact O-CD2 3.39Å; Q314-H317 PolarHBondContact O-N 3.48Å; Q314-H317 VanDerWaalsContact O-N 3.13Å; Q314-L351 HydrophobicContact CG-CD2 4.26Å
315L90.4Very high85.9Confident42 Ų4257.6 Ų57.622%0.2232%0.319CS..G310 helixtrans-65.3-15.7176.9-58173.2000112.5A283 I284 Q287 E312 L313 H317 E318A283-L315 HydrophobicContact CB-CD2 4.35Å; I284-L315 HydrophobicContact CD1-CB 3.33Å; I284-L315 HydrophobicContact CD1-CD1 4.42Å; I284-L315 HydrophobicContact CG1-CB 4.16Å; Q287-L315 HydrophobicContact CB-CD1 3.86Å; Q287-L315 HydrophobicContact CG-CD1 3.71Å; E312-L315 VanDerWaalsContact O-CB 3.28Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 WeakPolarHBondContact O-CG 3.38Å; E312-L315 PolarHBondContact O-N 2.87Å; L313-L315 PolarHBondContact O-N 3.35Å; L315-H317 PolarHBondContact O-N 2.74Å; L315-H317 VanDerWaalsContact O-N 3.08Å; L315-E318 WeakPolarHBondContact O-CB 3.42Å; L315-E318 PolarHBondContact O-N 3.03Å
316L91.6Very high87.9Confident9 Ų957.4 Ų57.45%0.04732%0.318CS..G310 helixtrans-56.7-22.6172-64.9-178.4000112.7L313 Q314 E318 C319 M324 L327 L348 L351 L355L313-L316 HydrophobicContact CG-CD1 4.05Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 WeakPolarHBondContact O-CG 3.31Å; L313-L316 PolarHBondContact O-N 2.86Å; Q314-L316 PolarHBondContact O-N 3.42Å; Q314-L316 VanDerWaalsContact O-N 3.13Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-C319 PolarHBondContact O-N 3.32Å; L316-M324 HydrophobicContact CB-CE 3.74Å; L316-M324 HydrophobicContact CD2-CE 3.88Å; L316-M324 HydrophobicContact CD2-SD 3.96Å; L316-M324 HydrophobicContact CG-CE 4.31Å; L316-M324 WeakPolarHBondContact O-CE 3.39Å; L316-L327 HydrophobicContact CD2-CD2 3.5Å; L316-L348 HydrophobicContact CD1-CD2 3.57Å; L316-L351 HydrophobicContact CD1-CD1 4.25Å; L316-L355 HydrophobicContact CB-CD2 4.33Å
317H92.1Very high89.7Confident57 Ų5750 Ų5026%0.26428%0.283SS..G310 helixtrans-72.2-21.2175-65.2-61.1000114Q314 L315 C319 P353Q314-H317 WeakPolarHBondContact O-CB 3.24Å; Q314-H317 PolarHBondContact O-CD2 3.39Å; Q314-H317 PolarHBondContact O-N 3.48Å; Q314-H317 VanDerWaalsContact O-N 3.13Å; L315-H317 PolarHBondContact O-N 2.74Å; L315-H317 VanDerWaalsContact O-N 3.08Å; H317-C319 VanDerWaalsContact C-N 3.26Å; H317-C319 PolarHBondContact O-N 3.37Å; H317-P353 PolarHBondContact CE1-O 3.19Å; H317-P353 PolarHBondContact NE2-O 2.81Å
318E90.8Very high91.2Very high126 Ų12643.3 Ų43.359%0.58925%0.247SC*.G310 helixtrans-78.3-13.5176.8-60.8-6114100112.4P281 L315 L316P281-E318 HydrophobicContact CB-CB 4.34Å; P281-E318 HydrophobicContact CG-CB 4.32Å; P281-E318 WeakPolarHBondContact CG-O 3.38Å; L315-E318 WeakPolarHBondContact O-CB 3.42Å; L315-E318 PolarHBondContact O-N 3.03Å; L316-E318 VanDerWaalsContact C-N 3.31Å
319C91.9Very high92.1Very high6 Ų644.9 Ų44.94%0.04125%0.251CS..  trans-84.9130.6-177.3-65.70000111.7L316 H317 Q323 M324 N359L316-C319 PolarHBondContact O-N 3.32Å; H317-C319 VanDerWaalsContact C-N 3.26Å; H317-C319 PolarHBondContact O-N 3.37Å; C319-Q323 HydrophobicContact CB-CB 4.22Å; C319-M324 HydrophobicContact CB-CB 4.28Å; C319-M324 HydrophobicContact CB-CE 3.86Å; C319-N359 PolarHBondContact O-ND2 3.5Å
320S93.9Very high92.6Very high45 Ų4547 Ų4732%0.31526%0.259SS..  trans-65.8163.9157680000110.9S322 Q323 M324S320-S322 VanDerWaalsContact C-N 3.31Å; S320-S322 PolarHBondContact O-N 3.45Å; S320-Q323 PolarHBondContact O-N 3.14Å; S320-Q323 VanDerWaalsContact O-N 3.12Å; S320-Q323 VanDerWaalsContact OG-CD 3.28Å; S320-Q323 WeakPolarHBondContact OG-CG 3.37Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 PolarHBondContact OG-OE1 3.25Å; S320-M324 WeakPolarHBondContact O-CB 3.38Å; S320-M324 PolarHBondContact O-N 2.66Å
321P94.6Very high92.9Very high50 Ų5046.7 Ų46.733%0.32526%0.256SS..Hα-helixtrans-59.1-38.1-179.3-26.336000114M324 D325 S358 N359 V362P321-M324 WeakPolarHBondContact O-CB 3.47Å; P321-M324 PolarHBondContact O-N 3.28Å; P321-D325 PolarHBondContact O-N 2.84Å; P321-D325 VanDerWaalsContact O-N 3.1Å; P321-S358 VanDerWaalsContact CG-CB 3.42Å; P321-N359 WeakPolarHBondContact CA-OD1 3.5Å; P321-V362 HydrophobicContact CB-CG2 4.14Å
322S93.8Very high93.2Very high70 Ų7047.7 Ų47.749%0.4925%0.253SS..Hα-helixtrans-67.7-39.9176.5-49.50000111.6L278 S320 M324 D325 L326L278-S322 VanDerWaalsContact CD2-C 3.44Å; L278-S322 WeakPolarHBondContact CD2-O 3.38Å; S320-S322 VanDerWaalsContact C-N 3.31Å; S320-S322 PolarHBondContact O-N 3.45Å; S322-M324 VanDerWaalsContact C-N 3.33Å; S322-D325 PolarHBondContact O-N 3.39Å; S322-L326 PolarHBondContact O-N 2.98Å; S322-L326 VanDerWaalsContact O-N 3.16Å
323Q95.1Very high93.5Very high39 Ų3946.4 Ų46.418%0.18225%0.247CC..Hα-helixtrans-68.7-34.9175.9-72.6165.3-39.800111.5L278 E279 L280 C319 S320 D325 L326 L327L278-Q323 HydrophobicContact CD2-CG 4.17Å; L278-Q323 HydrophobicContact CG-CG 4.2Å; E279-Q323 PolarHBondContact O-NE2 3.39Å; L280-Q323 HydrophobicContact CD2-CB 4.11Å; L280-Q323 VanDerWaalsContact CD2-O 3.25Å; L280-Q323 WeakPolarHBondContact CD2-O 3.49Å; C319-Q323 HydrophobicContact CB-CB 4.22Å; S320-Q323 PolarHBondContact O-N 3.14Å; S320-Q323 VanDerWaalsContact O-N 3.12Å; S320-Q323 VanDerWaalsContact OG-CD 3.28Å; S320-Q323 WeakPolarHBondContact OG-CG 3.37Å; S320-Q323 PolarHBondContact OG-N 2.94Å; S320-Q323 PolarHBondContact OG-OE1 3.25Å; Q323-D325 VanDerWaalsContact C-N 3.3Å; Q323-D325 PolarHBondContact O-N 2.91Å; Q323-L326 PolarHBondContact O-N 3.43Å; Q323-L327 WeakPolarHBondContact O-CB 3.35Å; Q323-L327 PolarHBondContact O-N 3.01Å
324M96.7Very high93.7Very high0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-60.4-42.5173.6-17559.571.600110.9L316 C319 S320 P321 S322 L327 C328 N359 V362 L363L316-M324 HydrophobicContact CB-CE 3.74Å; L316-M324 HydrophobicContact CD2-CE 3.88Å; L316-M324 HydrophobicContact CD2-SD 3.96Å; L316-M324 HydrophobicContact CG-CE 4.31Å; L316-M324 WeakPolarHBondContact O-CE 3.39Å; C319-M324 HydrophobicContact CB-CB 4.28Å; C319-M324 HydrophobicContact CB-CE 3.86Å; S320-M324 WeakPolarHBondContact O-CB 3.38Å; S320-M324 PolarHBondContact O-N 2.66Å; P321-M324 WeakPolarHBondContact O-CB 3.47Å; P321-M324 PolarHBondContact O-N 3.28Å; S322-M324 VanDerWaalsContact C-N 3.33Å; M324-L327 PolarHBondContact O-N 2.81Å; M324-L327 HydrophobicContact SD-CD2 4.49Å; M324-C328 WeakPolarHBondContact O-CB 3.25Å; M324-C328 PolarHBondContact O-N 3.05Å; M324-C328 PolarHBondContact O-SG 2.8Å; M324-N359 HydrophobicContact CE-CB 4.18Å; M324-N359 HydrophobicContact CG-CB 4.48Å; M324-V362 HydrophobicContact CB-CG1 4.05Å; M324-V362 HydrophobicContact CG-CB 4.21Å; M324-V362 HydrophobicContact CG-CG1 3.83Å; M324-L363 HydrophobicContact CE-CD1 4.38Å; M324-L363 HydrophobicContact CG-CG 4.14Å; M324-L363 HydrophobicContact SD-CD1 4.09Å; M324-L363 HydrophobicContact SD-CD2 4.17Å; M324-L363 HydrophobicContact SD-CG 3.95Å
325D95.6Very high93.8Very high86 Ų8652.5 Ų52.546%0.4628%0.281SS..Hα-helixtrans-64.1-44.1178.6-166.558.2000111.8P321 S322 Q323 C328 T329 V362P321-D325 PolarHBondContact O-N 2.84Å; P321-D325 VanDerWaalsContact O-N 3.1Å; S322-D325 PolarHBondContact O-N 3.39Å; Q323-D325 VanDerWaalsContact C-N 3.3Å; Q323-D325 PolarHBondContact O-N 2.91Å; D325-C328 PolarHBondContact O-N 3.16Å; D325-T329 PolarHBondContact O-N 2.9Å; D325-T329 VanDerWaalsContact O-N 3.09Å; D325-T329 PolarHBondContact O-OG1 2.96Å; D325-V362 HydrophobicContact CB-CG1 3.73Å
326L95.2Very high93.9Very high51 Ų5150.9 Ų50.927%0.26727%0.272SS..Hα-helixtrans-60.7-46.4173.2178.662000111.7L278 L280 S322 Q323 T329 Q330L278-L326 HydrophobicContact CD2-CB 4.38Å; L278-L326 HydrophobicContact CD2-CD2 4.42Å; L278-L326 WeakPolarHBondContact O-CD2 3.34Å; L280-L326 HydrophobicContact CD2-CB 4.25Å; L280-L326 HydrophobicContact CD2-CD2 4.02Å; L280-L326 HydrophobicContact CD2-CG 4.17Å; L280-L326 HydrophobicContact CG-CD2 3.98Å; L280-L326 HydrophobicContact CG-CG 4.38Å; S322-L326 PolarHBondContact O-N 2.98Å; S322-L326 VanDerWaalsContact O-N 3.16Å; Q323-L326 PolarHBondContact O-N 3.43Å; L326-T329 WeakPolarHBondContact O-CB 3.49Å; L326-T329 PolarHBondContact O-N 3.05Å; L326-Q330 HydrophobicContact CD1-CG 4.37Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 3.46Å
327L95.6Very high94Very high1 Ų152.8 Ų52.81%0.00529%0.286CS..Hα-helixtrans-60.8-46.2178.3178.361.5000111.1L280 I284 L288 L316 Q323 M324 T329 Q330 L331L280-L327 HydrophobicContact CD1-CD1 4.21Å; L280-L327 HydrophobicContact CD2-CB 3.96Å; I284-L327 HydrophobicContact CD1-CD2 4.15Å; I284-L327 HydrophobicContact CG2-CD1 3.7Å; I284-L327 HydrophobicContact CG2-CD2 4.13Å; I284-L327 HydrophobicContact CG2-CG 4.47Å; L288-L327 HydrophobicContact CD1-CD1 3.64Å; L316-L327 HydrophobicContact CD2-CD2 3.5Å; Q323-L327 WeakPolarHBondContact O-CB 3.35Å; Q323-L327 PolarHBondContact O-N 3.01Å; M324-L327 PolarHBondContact O-N 2.81Å; M324-L327 HydrophobicContact SD-CD2 4.49Å; L327-T329 PolarHBondContact O-N 2.97Å; L327-Q330 PolarHBondContact O-N 3.27Å; L327-Q330 VanDerWaalsContact O-N 3.15Å; L327-L331 HydrophobicContact CD1-CD1 3.87Å; L327-L331 HydrophobicContact CD1-CD2 4.47Å; L327-L331 HydrophobicContact CD1-CG 3.89Å; L327-L331 HydrophobicContact CD2-CD1 4.46Å; L327-L331 HydrophobicContact CG-CD1 3.83Å; L327-L331 HydrophobicContact CG-CG 4.23Å; L327-L331 WeakPolarHBondContact O-CB 3.24Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.8Å
328C95.4Very high94.2Very high2 Ų252.3 Ų52.31%0.01429%0.285CS..Hα-helixtrans-56.5-39.6177.1-71.30000112.1M324 D325 Q332 L333 L363 S366M324-C328 WeakPolarHBondContact O-CB 3.25Å; M324-C328 PolarHBondContact O-N 3.05Å; M324-C328 PolarHBondContact O-SG 2.8Å; D325-C328 PolarHBondContact O-N 3.16Å; C328-Q332 PolarHBondContact O-N 3.34Å; C328-Q332 VanDerWaalsContact O-N 3.15Å; C328-L333 HydrophobicContact CB-CD1 3.89Å; C328-L333 HydrophobicContact CB-CG 4.41Å; C328-L333 PolarHBondContact O-N 3.47Å; C328-L363 VanDerWaalsContact SG-CD2 3.57Å; C328-S366 WeakPolarHBondContact CB-OG 3.37Å
329T93.9Very high94.2Very high92 Ų9249.7 Ų49.756%0.56428%0.275SS*.Hα-helixtrans-68.7-44.9176.2-55.80000111.7D325 L326 L327 L331 Q332D325-T329 PolarHBondContact O-N 2.9Å; D325-T329 VanDerWaalsContact O-N 3.09Å; D325-T329 PolarHBondContact O-OG1 2.96Å; L326-T329 WeakPolarHBondContact O-CB 3.49Å; L326-T329 PolarHBondContact O-N 3.05Å; L327-T329 PolarHBondContact O-N 2.97Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 3.02Å; T329-Q332 PolarHBondContact O-N 3.2Å; T329-Q332 VanDerWaalsContact O-N 3.07Å
330Q93.5Very high94.2Very high70 Ų7049.4 Ų49.433%0.32727%0.273SS..Hα-helixtrans-66.7-29.5177.9-70.8-174.99.700113.3L288 Q292 L326 L327 Q332L288-Q330 HydrophobicContact CD1-CB 4.38Å; Q292-Q330 PolarHBondContact NE2-O 3.43Å; Q292-Q330 VanDerWaalsContact NE2-O 3.08Å; L326-Q330 HydrophobicContact CD1-CG 4.37Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 3.46Å; L327-Q330 PolarHBondContact O-N 3.27Å; L327-Q330 VanDerWaalsContact O-N 3.15Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å
331L93.9Very high94.3Very high20 Ų2047.2 Ų47.211%0.10526%0.258CS..THydrogen-bonded Turntrans-82.1-7.4173.3-70.2-178.1000113.3L288 L291 Q292 L295 L327 T329 L333L288-L331 HydrophobicContact CD1-CD2 3.76Å; L288-L331 HydrophobicContact CD1-CG 4.31Å; L291-L331 HydrophobicContact CB-CD2 3.72Å; Q292-L331 HydrophobicContact CG-CD2 3.78Å; L295-L331 HydrophobicContact CD1-CB 3.69Å; L295-L331 HydrophobicContact CD1-CD1 4.27Å; L295-L331 HydrophobicContact CD1-CD2 3.97Å; L295-L331 HydrophobicContact CD1-CG 4.18Å; L295-L331 WeakPolarHBondContact CD1-O 3.16Å; L327-L331 HydrophobicContact CD1-CD1 3.87Å; L327-L331 HydrophobicContact CD1-CD2 4.47Å; L327-L331 HydrophobicContact CD1-CG 3.89Å; L327-L331 HydrophobicContact CD2-CD1 4.46Å; L327-L331 HydrophobicContact CG-CD1 3.83Å; L327-L331 HydrophobicContact CG-CG 4.23Å; L327-L331 WeakPolarHBondContact O-CB 3.24Å; L327-L331 VanDerWaalsContact O-CG 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.8Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 3.02Å; L331-L333 HydrophobicContact CB-CD2 3.77Å; L331-L333 HydrophobicContact CB-CG 3.98Å; L331-L333 HydrophobicContact CD1-CD2 4.32Å; L331-L333 PolarHBondContact O-N 2.91Å
332Q93.9Very high94.3Very high127 Ų12746.4 Ų46.459%0.59325%0.251SS*.THydrogen-bonded Turntrans54.435.1-178.8-54.5-179.16.200113.3C328 T329 Q330 P334 Q335C328-Q332 PolarHBondContact O-N 3.34Å; C328-Q332 VanDerWaalsContact O-N 3.15Å; T329-Q332 PolarHBondContact O-N 3.2Å; T329-Q332 VanDerWaalsContact O-N 3.07Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å; Q332-P334 VanDerWaalsContact C-N 3.27Å; Q332-P334 VanDerWaalsContact O-N 3.13Å; Q332-Q335 HydrophobicContact CB-CB 4.44Å; Q332-Q335 HydrophobicContact CB-CG 4.34Å; Q332-Q335 WeakPolarHBondContact O-CB 3.46Å; Q332-Q335 PolarHBondContact O-N 2.82Å
333L94.5Very high94.2Very high5 Ų545.3 Ų45.33%0.02624%0.238CC..G310 helixtrans-52.1-35.2-179.6-56.7-174.5000114.7L295 C328 L331 Q335 L336 L344 L363 L367 R371L295-L333 HydrophobicContact CD1-CD2 3.63Å; L295-L333 HydrophobicContact CD2-CD2 4.12Å; C328-L333 HydrophobicContact CB-CD1 3.89Å; C328-L333 HydrophobicContact CB-CG 4.41Å; C328-L333 PolarHBondContact O-N 3.47Å; L331-L333 HydrophobicContact CB-CD2 3.77Å; L331-L333 HydrophobicContact CB-CG 3.98Å; L331-L333 HydrophobicContact CD1-CD2 4.32Å; L331-L333 PolarHBondContact O-N 2.91Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-Q335 VanDerWaalsContact O-N 3.16Å; L333-L336 HydrophobicContact CD2-CD1 4.07Å; L333-L336 WeakPolarHBondContact O-CG 3.43Å; L333-L336 PolarHBondContact O-N 3.45Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L333-L363 HydrophobicContact CD1-CD2 3.92Å; L333-L367 HydrophobicContact CB-CD2 4.11Å; L333-L367 HydrophobicContact CD1-CD2 4.17Å; L333-R371 PolarHBondContact O-NH2 2.78Å
334P93.9Very high94.2Very high57 Ų5743.7 Ų43.737%0.3723%0.231SC..G310 helixtrans-61.5-20175.1-2333.7000114.5Q332 S366 R371Q332-P334 VanDerWaalsContact C-N 3.27Å; Q332-P334 VanDerWaalsContact O-N 3.13Å; P334-S366 WeakPolarHBondContact CG-O 3.33Å; P334-R371 PolarHBondContact O-NH2 2.98Å; P334-R371 VanDerWaalsContact O-NH2 3.07Å
335Q92.9Very high94.1Very high148 Ų14843.7 Ų43.769%0.69223%0.231SC*.G310 helixtrans-95-5.8-175.1-56.9-61.2-8.300114.5Q332 L333Q332-Q335 HydrophobicContact CB-CB 4.44Å; Q332-Q335 HydrophobicContact CB-CG 4.34Å; Q332-Q335 WeakPolarHBondContact O-CB 3.46Å; Q332-Q335 PolarHBondContact O-N 2.82Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-Q335 VanDerWaalsContact O-N 3.16Å
336L94Very high94Very high8 Ų842.5 Ų42.54%0.04223%0.226CC..SBendtrans-56.1153.2-179.9-65.3171.8000112.4L295 E299 L333 L344 R371L295-L336 HydrophobicContact CB-CD2 4.28Å; L295-L336 HydrophobicContact CD2-CD1 4.3Å; L295-L336 HydrophobicContact CD2-CD2 4.34Å; E299-L336 HydrophobicContact CG-CD2 4.25Å; E299-L336 WeakPolarHBondContact OE1-CA 3.15Å; L333-L336 HydrophobicContact CD2-CD1 4.07Å; L333-L336 WeakPolarHBondContact O-CG 3.43Å; L333-L336 PolarHBondContact O-N 3.45Å; L336-L344 HydrophobicContact CD1-CD2 3.68Å; L336-R371 VanDerWaalsContact N-NH2 3.12Å; L336-R371 PolarHBondContact O-NH1 2.89Å; L336-R371 PolarHBondContact O-NH2 3.4Å
337S93.9Very high93.9Very high48 Ų4841 Ų4134%0.33622%0.217SC..  trans-67.2160.1166.872.30000111.3L339 G340 L341S337-L339 PolarHBondContact O-N 3.15Å; S337-G340 PolarHBondContact O-N 3.03Å; S337-G340 PolarHBondContact OG-N 3.33Å; S337-G340 VanDerWaalsContact OG-N 3.08Å; S337-L341 WeakPolarHBondContact O-CB 3.49Å; S337-L341 PolarHBondContact O-N 2.59Å
338D94.4Very high93.9Very high47 Ų4741 Ų4125%0.25122%0.217SC..Hα-helixtrans-62.3-29.6176.6-77.1-3.6000112.4L342 R371 S380 L382D338-L342 PolarHBondContact O-N 3.17Å; D338-L342 VanDerWaalsContact O-N 3.12Å; D338-R371 IonicContact OD1-NH1 3.45Å; D338-R371 PolarHBondContact OD1-NH1 3.36Å; D338-S380 WeakPolarHBondContact OD2-CB 3.23Å; D338-S380 PolarHBondContact OD2-OG 2.99Å; D338-L382 HydrophobicContact CB-CB 3.82Å; D338-L382 HydrophobicContact CB-CD1 4.17Å
339L91.9Very high93.9Very high71 Ų7142.8 Ų42.837%0.37223%0.226SC..Hα-helixtrans-68.5-50173.3179.562.2000111.2S337 L341 L342 Q343 L382S337-L339 PolarHBondContact O-N 3.15Å; L339-L341 VanDerWaalsContact C-N 3.29Å; L339-L341 PolarHBondContact O-N 3.35Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å; L339-Q343 WeakPolarHBondContact O-CG 3.36Å; L339-Q343 PolarHBondContact O-N 3.41Å; L339-L382 HydrophobicContact CB-CD1 4.35Å
340G92.7Very high93.8Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-62.9-36.3177.800000112.3S337 Q343 L344S337-G340 PolarHBondContact O-N 3.03Å; S337-G340 PolarHBondContact OG-N 3.33Å; S337-G340 VanDerWaalsContact OG-N 3.08Å; G340-Q343 PolarHBondContact O-N 3.4Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.21Å; G340-L344 PolarHBondContact O-N 3.39Å
341L95.6Very high93.8Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-60-47.7172.3173.764.3000111.8S337 L339 L344 C345 L367 F368 L383 A386S337-L341 WeakPolarHBondContact O-CB 3.49Å; S337-L341 PolarHBondContact O-N 2.59Å; L339-L341 VanDerWaalsContact C-N 3.29Å; L339-L341 PolarHBondContact O-N 3.35Å; L341-L344 PolarHBondContact O-N 2.65Å; L341-C345 WeakPolarHBondContact O-CB 3.41Å; L341-C345 PolarHBondContact O-N 3.41Å; L341-C345 PolarHBondContact O-SG 3.26Å; L341-L367 HydrophobicContact CD1-CB 3.92Å; L341-L367 HydrophobicContact CD1-CD2 3.73Å; L341-L367 HydrophobicContact CD1-CG 4.31Å; L341-F368 HydrophobicContact CD1-CE1 4.07Å; L341-F368 HydrophobicContact CD1-CZ 4.36Å; L341-F368 HydrophobicContact CD2-CD1 4.13Å; L341-F368 HydrophobicContact CD2-CE1 3.91Å; L341-F368 HydrophobicContact CG-CE1 4.24Å; L341-L383 HydrophobicContact CD2-CD1 3.66Å; L341-A386 HydrophobicContact CD2-CB 4.32Å; L341-A386 HydrophobicContact CG-CB 4.11Å
342L94.2Very high93.5Very high33 Ų3341.3 Ų41.317%0.17323%0.232CC..Hα-helixtrans-61.9-47.5179.6176.862000111.1D338 L339 C345 T346 L382 T385 A386D338-L342 PolarHBondContact O-N 3.17Å; D338-L342 VanDerWaalsContact O-N 3.12Å; L339-L342 PolarHBondContact O-N 3.12Å; L339-L342 VanDerWaalsContact O-N 3.17Å; L342-C345 WeakPolarHBondContact O-CB 3.5Å; L342-C345 PolarHBondContact O-N 2.88Å; L342-T346 PolarHBondContact O-N 2.97Å; L342-T346 PolarHBondContact O-OG1 3.17Å; L342-L382 HydrophobicContact CD2-CD2 3.74Å; L342-T385 HydrophobicContact CD1-CG2 3.96Å; L342-A386 HydrophobicContact CB-CB 4.15Å; L342-A386 HydrophobicContact CD1-CB 3.89Å
343Q92.1Very high93.4Very high47 Ų4739.3 Ų39.322%0.2223%0.23CC..Hα-helixtrans-64.1-42.2179.2-67.1177.4-2300112L298 L339 G340 C345 T346 W347L298-Q343 HydrophobicContact CD2-CB 3.53Å; L298-Q343 HydrophobicContact CD2-CG 4.47Å; L298-Q343 PolarHBondContact O-OE1 3.18Å; L339-Q343 WeakPolarHBondContact O-CG 3.36Å; L339-Q343 PolarHBondContact O-N 3.41Å; G340-Q343 PolarHBondContact O-N 3.4Å; Q343-C345 VanDerWaalsContact C-N 3.3Å; Q343-C345 PolarHBondContact O-N 3.35Å; Q343-T346 WeakPolarHBondContact O-CB 3.47Å; Q343-T346 PolarHBondContact O-N 2.89Å; Q343-T346 VanDerWaalsContact O-N 3.14Å; Q343-W347 PolarHBondContact O-N 3.37Å; Q343-W347 VanDerWaalsContact O-N 3.07Å
344L94.1Very high93.4Very high5 Ų543.6 Ų43.63%0.02625%0.253CS..Hα-helixtrans-59.9-42.1173.5-179.960.8000111.2L295 L298 L313 L333 L336 G340 L341 T346 W347 L348 L367L295-L344 HydrophobicContact CD2-CD1 4.19Å; L295-L344 HydrophobicContact CD2-CD2 4.01Å; L298-L344 HydrophobicContact CD1-CB 4.13Å; L298-L344 HydrophobicContact CD1-CD1 4.43Å; L313-L344 HydrophobicContact CD1-CD1 4.43Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L336-L344 HydrophobicContact CD1-CD2 3.68Å; G340-L344 VanDerWaalsContact O-CB 3.28Å; G340-L344 WeakPolarHBondContact O-CB 3.21Å; G340-L344 PolarHBondContact O-N 3.39Å; L341-L344 PolarHBondContact O-N 2.65Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.05Å; L344-W347 PolarHBondContact O-N 2.96Å; L344-L348 HydrophobicContact CD1-CD1 4.36Å; L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.28Å; L344-L348 PolarHBondContact O-N 3.36Å; L344-L367 HydrophobicContact CD2-CD2 3.78Å
345C95.6Very high93.4Very high0 Ų041.4 Ų41.40%024%0.238CC..Hα-helixtrans-60.7-40.6175.5-69.70000111.7L341 L342 Q343 W347 L348 L349 F368 F390L341-C345 WeakPolarHBondContact O-CB 3.41Å; L341-C345 PolarHBondContact O-N 3.41Å; L341-C345 PolarHBondContact O-SG 3.26Å; L342-C345 WeakPolarHBondContact O-CB 3.5Å; L342-C345 PolarHBondContact O-N 2.88Å; Q343-C345 VanDerWaalsContact C-N 3.3Å; Q343-C345 PolarHBondContact O-N 3.35Å; C345-W347 PolarHBondContact O-N 3.33Å; C345-L348 PolarHBondContact O-N 3.26Å; C345-L349 VanDerWaalsContact O-CB 3.32Å; C345-L349 WeakPolarHBondContact O-CB 3.41Å; C345-L349 WeakPolarHBondContact O-CG 3.46Å; C345-L349 PolarHBondContact O-N 2.98Å; C345-F368 VanDerWaalsContact SG-CZ 3.6Å; C345-F390 HydrophobicContact CB-CD2 4.41Å
346T92.9Very high93.5Very high60 Ų6037.1 Ų37.137%0.36822%0.224SC..Hα-helixtrans-57.6-47.6174.3-57.40000111.5L342 Q343 L344 L349 A350L342-T346 PolarHBondContact O-N 2.97Å; L342-T346 PolarHBondContact O-OG1 3.17Å; Q343-T346 WeakPolarHBondContact O-CB 3.47Å; Q343-T346 PolarHBondContact O-N 2.89Å; Q343-T346 VanDerWaalsContact O-N 3.14Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 3.05Å; T346-L349 WeakPolarHBondContact O-CB 3.28Å; T346-L349 PolarHBondContact O-N 3.04Å; T346-A350 PolarHBondContact O-N 2.86Å; T346-A350 VanDerWaalsContact O-N 3.14Å
347W93.4Very high93.5Very high19 Ų1940.3 Ų40.37%0.07224%0.241CC..Hα-helixtrans-64.4-43.7176.5-72.9-12.4000112.9L298 L305 E306 P309 P310 L313 Q343 L344 C345 L349 A350 L351L298-W347 HydrophobicContact CD1-CE3 3.98Å; L298-W347 HydrophobicContact CD1-CH2 4.39Å; L298-W347 HydrophobicContact CD1-CZ3 3.66Å; L298-W347 HydrophobicContact CD2-CD2 4.35Å; L298-W347 HydrophobicContact CD2-CE3 4.04Å; L298-W347 HydrophobicContact CD2-CH2 3.67Å; L298-W347 HydrophobicContact CD2-CZ2 4.01Å; L298-W347 HydrophobicContact CD2-CZ3 3.69Å; L298-W347 HydrophobicContact CG-CE3 4.44Å; L298-W347 HydrophobicContact CG-CH2 4.04Å; L298-W347 HydrophobicContact CG-CZ3 3.82Å; L305-W347 HydrophobicContact CD2-CH2 3.59Å; L305-W347 HydrophobicContact CD2-CZ2 3.28Å; L305-W347 HydrophobicContact CG-CH2 4.39Å; L305-W347 HydrophobicContact CG-CZ2 3.92Å; E306-W347 PolarHBondContact O-NE1 2.95Å; E306-W347 VanDerWaalsContact O-NE1 3.16Å; P309-W347 HydrophobicContact CB-CB 4.07Å; P309-W347 HydrophobicContact CB-CG 4.39Å; P310-W347 HydrophobicContact CG-CE3 4.1Å; P310-W347 HydrophobicContact CG-CH2 4.16Å; P310-W347 HydrophobicContact CG-CZ3 3.88Å; L313-W347 HydrophobicContact CD2-CB 3.74Å; Q343-W347 PolarHBondContact O-N 3.37Å; Q343-W347 VanDerWaalsContact O-N 3.07Å; L344-W347 PolarHBondContact O-N 2.96Å; C345-W347 PolarHBondContact O-N 3.33Å; W347-L349 VanDerWaalsContact C-N 3.26Å; W347-L349 PolarHBondContact O-N 2.95Å; W347-A350 PolarHBondContact O-N 3.42Å; W347-L351 PolarHBondContact O-N 3.22Å
348L95.2Very high93.6Very high2 Ų241 Ų411%0.0125%0.246CC..Hα-helixtrans-63.8-32.3177.3-68.2174.1000112.5L313 L316 L344 C345 A350 L351 L367 F390L313-L348 HydrophobicContact CD2-CD2 3.91Å; L313-L348 HydrophobicContact CD2-CG 4.43Å; L313-L348 HydrophobicContact CG-CD2 4.38Å; L316-L348 HydrophobicContact CD1-CD2 3.57Å; L344-L348 HydrophobicContact CD1-CD1 4.36Å; L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.28Å; L344-L348 PolarHBondContact O-N 3.36Å; C345-L348 PolarHBondContact O-N 3.26Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-L351 HydrophobicContact CD2-CD1 3.85Å; L348-L367 HydrophobicContact CD1-CD1 3.87Å; L348-F390 HydrophobicContact CB-CE2 3.97Å; L348-F390 HydrophobicContact CD1-CE2 4.29Å
349L94.8Very high93.7Very high39 Ų3939.1 Ų39.120%0.20424%0.236CC..Hα-helixtrans-69.8-29.7173.8-76.2171000112.2C345 T346 W347 F390 K393 Y394C345-L349 VanDerWaalsContact O-CB 3.32Å; C345-L349 WeakPolarHBondContact O-CB 3.41Å; C345-L349 WeakPolarHBondContact O-CG 3.46Å; C345-L349 PolarHBondContact O-N 2.98Å; T346-L349 WeakPolarHBondContact O-CB 3.28Å; T346-L349 PolarHBondContact O-N 3.04Å; W347-L349 VanDerWaalsContact C-N 3.26Å; W347-L349 PolarHBondContact O-N 2.95Å; L349-F390 HydrophobicContact CD2-CD2 4.22Å; L349-F390 HydrophobicContact CG-CD2 4.19Å; L349-K393 HydrophobicContact CD2-CB 3.37Å; L349-K393 HydrophobicContact CD2-CD 3.65Å; L349-K393 HydrophobicContact CD2-CG 4.08Å; L349-K393 PolarHBondContact O-NZ 3.29Å; L349-Y394 HydrophobicContact CD2-CD2 4.31Å; L349-Y394 HydrophobicContact CD2-CE2 4.26Å
350A93.1Very high94Very high51 Ų5135.7 Ų35.742%0.42122%0.218SC..Hα-helixtrans-83.4-8.3178.400000114.2P309 T346 W347 L348P309-A350 HydrophobicContact CG-CB 3.94Å; T346-A350 PolarHBondContact O-N 2.86Å; T346-A350 VanDerWaalsContact O-N 3.14Å; W347-A350 PolarHBondContact O-N 3.42Å; L348-A350 VanDerWaalsContact C-N 3.32Å
351L92.1Very high94.2Very high2 Ų236.2 Ų36.21%0.0122%0.222CC..  trans-58.7140.4176.6-72.2177.3000112.4P309 L313 Q314 L316 W347 L348 P353 L355 K393P309-L351 HydrophobicContact CB-CD2 4.23Å; P309-L351 HydrophobicContact CG-CD2 4.4Å; L313-L351 HydrophobicContact CB-CD2 4.17Å; L313-L351 HydrophobicContact CD2-CD2 4.38Å; Q314-L351 HydrophobicContact CG-CD2 4.26Å; L316-L351 HydrophobicContact CD1-CD1 4.25Å; W347-L351 PolarHBondContact O-N 3.22Å; L348-L351 HydrophobicContact CD2-CD1 3.85Å; L351-P353 CarbonylContact C-O 3.57Å; L351-L355 HydrophobicContact CD1-CD2 4.19Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L351-K393 PolarHBondContact O-NZ 2.93Å
352S88.3Confident94.3Very high98 Ų9837 Ų3769%0.68523%0.226SC*.SBendtrans-140121.8173.9-175.40000109
353P92.4Very high94.5Very high85 Ų8535.6 Ų35.655%0.55222%0.219SC*.SBendcis-67.9169.32.231.1-36.3000113.4H317 L351H317-P353 PolarHBondContact CE1-O 3.19Å; H317-P353 PolarHBondContact NE2-O 2.81Å; L351-P353 CarbonylContact C-O 3.57Å
354D93.1Very high94.8Very high95 Ų9533.4 Ų33.451%0.50821%0.208SC..PPolyproline II helixtrans-64.9151.8174.4-66.4-16.8000111.5K393 Y394D354-K393 VanDerWaalsContact CG-CE 3.42Å; D354-K393 WeakPolarHBondContact OD1-CE 3.4Å; D354-K393 IonicContact OD1-NZ 2.9Å; D354-K393 PolarHBondContact OD1-NZ 3.49Å; D354-Y394 HydrophobicContact CB-CE1 4.29Å
355L94.6Very high95Very high11 Ų1138.1 Ų38.16%0.05823%0.226CC..PPolyproline II helixtrans-60.8143.5173.8-66.7168.1000110.7L316 L351 A360 L363 Y394L316-L355 HydrophobicContact CB-CD2 4.33Å; L351-L355 HydrophobicContact CD1-CD2 4.19Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L355-A360 HydrophobicContact CB-CB 4.16Å; L355-L363 HydrophobicContact CD1-CD1 3.54Å; L355-L363 HydrophobicContact CD2-CD1 4.36Å; L355-Y394 HydrophobicContact CB-CE1 3.99Å; L355-Y394 PolarHBondContact N-OH 3.41Å; L355-Y394 VanDerWaalsContact N-OH 3.14Å
356S94.5Very high95.1Very high58 Ų5838.8 Ų38.841%0.40623%0.231SC..PPolyproline II helixtrans-61.6153.3172.575.70000110.5S358 N359 A360S356-S358 PolarHBondContact O-N 3.09Å; S356-N359 PolarHBondContact O-N 3.47Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 3.02Å; S356-A360 WeakPolarHBondContact O-CB 3.19Å; S356-A360 PolarHBondContact O-N 3.27Å
357L94.8Very high95.3Very high75 Ų7536 Ų3639%0.39321%0.213SC..Hα-helixtrans-49.2-46.2176.9171.261.4000111.7T361 Y396 P397L357-T361 WeakPolarHBondContact O-CB 3.28Å; L357-T361 PolarHBondContact O-N 3.29Å; L357-T361 PolarHBondContact O-OG1 3.41Å; L357-T361 VanDerWaalsContact O-OG1 3.08Å; L357-Y396 HydrophobicContact CD1-CD1 3.77Å; L357-Y396 HydrophobicContact CD1-CE1 4.13Å; L357-Y396 HydrophobicContact CD2-CE1 4.24Å; L357-P397 HydrophobicContact CD1-CB 3.97Å; L357-P397 HydrophobicContact CD1-CG 3.57Å
358S96.1Very high95.5Very high63 Ų6335 Ų3544%0.44121%0.21SC..Hα-helixtrans-67.8-45.2-178.1-55.20000112.5P321 S356 T361 V362P321-S358 VanDerWaalsContact CG-CB 3.42Å; S356-S358 PolarHBondContact O-N 3.09Å; S358-T361 PolarHBondContact O-N 3.27Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.1Å
359N96.6Very high95.6Very high7 Ų736.5 Ų36.54%0.03722%0.217CC..Hα-helixtrans-67.9-39.6179.1-72.11.9000111.3C319 P321 M324 S356 T361 V362 L363C319-N359 PolarHBondContact O-ND2 3.5Å; P321-N359 WeakPolarHBondContact CA-OD1 3.5Å; M324-N359 HydrophobicContact CE-CB 4.18Å; M324-N359 HydrophobicContact CG-CB 4.48Å; S356-N359 PolarHBondContact O-N 3.47Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 3.02Å; N359-T361 VanDerWaalsContact C-N 3.33Å; N359-T361 PolarHBondContact O-N 3.48Å; N359-V362 PolarHBondContact O-N 3.33Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 PolarHBondContact O-N 3.11Å
360A97.7Very high95.7Very high0 Ų036.6 Ų36.60%023%0.228CC..Hα-helixtrans-62.3-39174.100000112L355 S356 T364 Y394 P397L355-A360 HydrophobicContact CB-CB 4.16Å; S356-A360 WeakPolarHBondContact O-CB 3.19Å; S356-A360 PolarHBondContact O-N 3.27Å; A360-T364 WeakPolarHBondContact O-CB 3.18Å; A360-T364 PolarHBondContact O-N 3.33Å; A360-T364 PolarHBondContact O-OG1 3.39Å; A360-Y394 HydrophobicContact CB-CD1 3.92Å; A360-Y394 HydrophobicContact CB-CE1 4.35Å; A360-Y394 HydrophobicContact CB-CG 4.3Å; A360-P397 HydrophobicContact CB-CB 3.74Å; A360-P397 HydrophobicContact CB-CG 4.05Å
361T97.7Very high95.9Very high11 Ų1136 Ų367%0.06722%0.215CC..Hα-helixtrans-64.2-43.6174-70.50000112L357 S358 N359 T364 R365 P397 A401L357-T361 WeakPolarHBondContact O-CB 3.28Å; L357-T361 PolarHBondContact O-N 3.29Å; L357-T361 PolarHBondContact O-OG1 3.41Å; L357-T361 VanDerWaalsContact O-OG1 3.08Å; S358-T361 PolarHBondContact O-N 3.27Å; N359-T361 VanDerWaalsContact C-N 3.33Å; N359-T361 PolarHBondContact O-N 3.48Å; T361-T364 PolarHBondContact O-N 3.22Å; T361-R365 WeakPolarHBondContact O-CG 3.45Å; T361-R365 PolarHBondContact O-N 2.83Å; T361-R365 VanDerWaalsContact O-N 3.13Å; T361-P397 PolarHBondContact OG1-O 3.46Å; T361-A401 HydrophobicContact CG2-CB 3.94Å
362V97.9Very high96.1Very high17 Ų1735.9 Ų35.910%0.10321%0.214CC..Hα-helixtrans-63.2-49.7176.8171.60000110.9P321 M324 D325 S358 N359 T364 R365 S366P321-V362 HydrophobicContact CB-CG2 4.14Å; M324-V362 HydrophobicContact CB-CG1 4.05Å; M324-V362 HydrophobicContact CG-CB 4.21Å; M324-V362 HydrophobicContact CG-CG1 3.83Å; D325-V362 HydrophobicContact CB-CG1 3.73Å; S358-V362 WeakPolarHBondContact O-CG2 3.48Å; S358-V362 PolarHBondContact O-N 3.1Å; N359-V362 PolarHBondContact O-N 3.33Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 3.06Å; V362-R365 PolarHBondContact O-N 3.31Å; V362-R365 VanDerWaalsContact O-N 3.12Å; V362-S366 PolarHBondContact O-N 2.92Å
363L97.8Very high96.5Very high3 Ų334.6 Ų34.62%0.01620%0.199CC..Hα-helixtrans-58.1-43.6176.3-84.8165.2000111.8M324 C328 L333 L355 N359 R365 S366 L367M324-L363 HydrophobicContact CE-CD1 4.38Å; M324-L363 HydrophobicContact CG-CG 4.14Å; M324-L363 HydrophobicContact SD-CD1 4.09Å; M324-L363 HydrophobicContact SD-CD2 4.17Å; M324-L363 HydrophobicContact SD-CG 3.95Å; C328-L363 VanDerWaalsContact SG-CD2 3.57Å; L333-L363 HydrophobicContact CD1-CD2 3.92Å; L355-L363 HydrophobicContact CD1-CD1 3.54Å; L355-L363 HydrophobicContact CD2-CD1 4.36Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 PolarHBondContact O-N 3.11Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.95Å; L363-S366 PolarHBondContact O-N 2.69Å; L363-L367 HydrophobicContact CB-CD1 4.37Å; L363-L367 VanDerWaalsContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CB 3.02Å; L363-L367 WeakPolarHBondContact O-CG 3.49Å; L363-L367 PolarHBondContact O-N 2.72Å
364T98.4Very high96.7Very high0 Ų035 Ų350%020%0.204CC..Hα-helixtrans-57.6-45.2177.1-550000111.2A360 T361 V362 L367 F368 V398 A401 L402A360-T364 WeakPolarHBondContact O-CB 3.18Å; A360-T364 PolarHBondContact O-N 3.33Å; A360-T364 PolarHBondContact O-OG1 3.39Å; T361-T364 PolarHBondContact O-N 3.22Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 3.06Å; T364-L367 PolarHBondContact O-N 2.96Å; T364-F368 HydrophobicContact CG2-CD2 3.79Å; T364-F368 HydrophobicContact CG2-CE2 4.48Å; T364-F368 WeakPolarHBondContact O-CD2 3.45Å; T364-F368 PolarHBondContact O-N 3.42Å; T364-V398 HydrophobicContact CG2-CB 4.15Å; T364-V398 HydrophobicContact CG2-CG1 4.02Å; T364-V398 HydrophobicContact CG2-CG2 3.97Å; T364-A401 HydrophobicContact CG2-CB 3.69Å; T364-L402 HydrophobicContact CG2-CD1 3.89Å; T364-L402 HydrophobicContact CG2-CD2 4.05Å; T364-L402 HydrophobicContact CG2-CG 3.77Å
365R97.6Very high96.8Very high104 Ų10431.9 Ų31.939%0.39219%0.187SC..Iπ-helixtrans-61.4-48.1178.1-71.1-177.8-178.4146.7-1.6110.9T361 V362 L363 L367 L369 A401T361-R365 WeakPolarHBondContact O-CG 3.45Å; T361-R365 PolarHBondContact O-N 2.83Å; T361-R365 VanDerWaalsContact O-N 3.13Å; V362-R365 PolarHBondContact O-N 3.31Å; V362-R365 VanDerWaalsContact O-N 3.12Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.22Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 2.91Å; R365-A401 HydrophobicContact CG-CB 3.88Å; R365-A401 PolarHBondContact NE-O 2.83Å
366S97.8Very high96.7Very high14 Ų1438.2 Ų38.210%0.09823%0.226CC..Iπ-helixtrans-64.6-37.1-179.5-173.90000113.1C328 P334 V362 L363C328-S366 WeakPolarHBondContact CB-OG 3.37Å; P334-S366 WeakPolarHBondContact CG-O 3.33Å; V362-S366 PolarHBondContact O-N 2.92Å; L363-S366 PolarHBondContact O-N 2.69Å
367L97.8Very high96.7Very high1 Ų139.1 Ų39.11%0.00523%0.233CC..Iπ-helixtrans-78.1-41.7-175.4-70.1169.7000112.1L333 L341 L344 L348 L363 T364 R365 R371L333-L367 HydrophobicContact CB-CD2 4.11Å; L333-L367 HydrophobicContact CD1-CD2 4.17Å; L341-L367 HydrophobicContact CD1-CB 3.92Å; L341-L367 HydrophobicContact CD1-CD2 3.73Å; L341-L367 HydrophobicContact CD1-CG 4.31Å; L344-L367 HydrophobicContact CD2-CD2 3.78Å; L348-L367 HydrophobicContact CD1-CD1 3.87Å; L363-L367 HydrophobicContact CB-CD1 4.37Å; L363-L367 VanDerWaalsContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CB 3.02Å; L363-L367 WeakPolarHBondContact O-CG 3.49Å; L363-L367 PolarHBondContact O-N 2.72Å; T364-L367 PolarHBondContact O-N 2.96Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.22Å; L367-R371 VanDerWaalsContact O-CD 3.24Å; L367-R371 WeakPolarHBondContact O-CD 3.46Å; L367-R371 PolarHBondContact O-NE 2.67Å
368F98.3Very high96.6Very high0 Ų039.4 Ų39.40%024%0.241CC..Iπ-helixtrans-118.2-28.6-165-56.7-73.8000114.8L341 C345 T364 G370 R371 I372 L383 A386 L387 F390 L402L341-F368 HydrophobicContact CD1-CE1 4.07Å; L341-F368 HydrophobicContact CD1-CZ 4.36Å; L341-F368 HydrophobicContact CD2-CD1 4.13Å; L341-F368 HydrophobicContact CD2-CE1 3.91Å; L341-F368 HydrophobicContact CG-CE1 4.24Å; C345-F368 VanDerWaalsContact SG-CZ 3.6Å; T364-F368 HydrophobicContact CG2-CD2 3.79Å; T364-F368 HydrophobicContact CG2-CE2 4.48Å; T364-F368 WeakPolarHBondContact O-CD2 3.45Å; T364-F368 PolarHBondContact O-N 3.42Å; F368-G370 PolarHBondContact O-N 3.35Å; F368-R371 PolarHBondContact O-N 3.15Å; F368-I372 HydrophobicContact CB-CD1 3.99Å; F368-I372 VanDerWaalsContact O-CG1 3.28Å; F368-I372 WeakPolarHBondContact O-CG1 3.27Å; F368-I372 PolarHBondContact O-N 2.93Å; F368-L383 HydrophobicContact CD1-CD1 4.02Å; F368-L383 HydrophobicContact CE1-CD1 4.49Å; F368-A386 HydrophobicContact CE1-CB 4.15Å; F368-L387 HydrophobicContact CB-CD1 4.49Å; F368-L387 HydrophobicContact CD1-CB 4.18Å; F368-L387 HydrophobicContact CD1-CD1 4.1Å; F368-L387 HydrophobicContact CD2-CD1 4.17Å; F368-L387 HydrophobicContact CE1-CB 3.99Å; F368-L387 HydrophobicContact CE1-CD1 4.35Å; F368-L387 HydrophobicContact CE2-CD1 4.42Å; F368-L387 HydrophobicContact CG-CD1 4Å; F368-L387 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CE2-CB 4.38Å; F368-F390 AromaticContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CG 4.25Å; F368-F390 HydrophobicContact CZ-CB 4.18Å; F368-F390 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CZ-CG 4.43Å; F368-L402 HydrophobicContact CB-CD1 4.37Å; F368-L402 HydrophobicContact CB-CD2 4.16Å
369L97.6Very high96.5Very high32 Ų3237.3 Ų37.317%0.16823%0.228CC..Iπ-helixtrans-62-52.7-168.5179.158.9000112.1R365 R371 I372 L373 L402 P405 V406R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 2.91Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.9Å; L369-I372 PolarHBondContact O-N 3.43Å; L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 3.96Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.42Å; L369-L373 WeakPolarHBondContact O-CB 3.12Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.37Å; L369-L402 HydrophobicContact CB-CD2 4.14Å; L369-L402 HydrophobicContact CD1-CD2 4.38Å; L369-P405 HydrophobicContact CD1-CB 3.76Å; L369-P405 HydrophobicContact CD2-CB 3.88Å; L369-P405 HydrophobicContact CD2-CG 4.38Å; L369-P405 HydrophobicContact CG-CB 4.49Å; L369-V406 HydrophobicContact CD1-CG2 3.62Å
370G96.3Very high96.5Very high41 Ų4139.1 Ų39.142%0.42324%0.241SC..Hα-helixtrans-59.9-38.4179.800000112.6F368 S374F368-G370 PolarHBondContact O-N 3.35Å; G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 2.85Å; G370-S374 PolarHBondContact O-OG 2.85Å
371R96.6Very high96.4Very high38 Ų3849.4 Ų49.414%0.14328%0.28CS..Hα-helixtrans-64.8-48.6178-61.2177.7-170.5-86.4-11.7111.6L333 P334 L336 D338 L367 F368 L369 L373 S374 L375 L383L333-R371 PolarHBondContact O-NH2 2.78Å; P334-R371 PolarHBondContact O-NH2 2.98Å; P334-R371 VanDerWaalsContact O-NH2 3.07Å; L336-R371 VanDerWaalsContact N-NH2 3.12Å; L336-R371 PolarHBondContact O-NH1 2.89Å; L336-R371 PolarHBondContact O-NH2 3.4Å; D338-R371 IonicContact OD1-NH1 3.45Å; D338-R371 PolarHBondContact OD1-NH1 3.36Å; L367-R371 VanDerWaalsContact O-CD 3.24Å; L367-R371 WeakPolarHBondContact O-CD 3.46Å; L367-R371 PolarHBondContact O-NE 2.67Å; F368-R371 PolarHBondContact O-N 3.15Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.9Å; R371-L373 PolarHBondContact O-N 3.14Å; R371-S374 PolarHBondContact O-N 3.49Å; R371-S374 VanDerWaalsContact O-N 3.17Å; R371-L375 WeakPolarHBondContact O-CG 3.45Å; R371-L375 PolarHBondContact O-N 2.87Å; R371-L383 HydrophobicContact CB-CD1 4.41Å; R371-L383 HydrophobicContact CB-CD2 4.33Å
372I97Very high96.3Very high0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-62.5-45.1179-67.8168.7000110.4F368 L369 S374 L375 L387 L402 V406 Q416 L419F368-I372 HydrophobicContact CB-CD1 3.99Å; F368-I372 VanDerWaalsContact O-CG1 3.28Å; F368-I372 WeakPolarHBondContact O-CG1 3.27Å; F368-I372 PolarHBondContact O-N 2.93Å; L369-I372 PolarHBondContact O-N 3.43Å; I372-S374 PolarHBondContact O-N 3.09Å; I372-L375 WeakPolarHBondContact O-CB 3.44Å; I372-L375 WeakPolarHBondContact O-CG 3.49Å; I372-L375 PolarHBondContact O-N 3.44Å; I372-L387 HydrophobicContact CD1-CD2 4.22Å; I372-L402 HydrophobicContact CD1-CD1 3.79Å; I372-L402 HydrophobicContact CD1-CD2 4.12Å; I372-L402 HydrophobicContact CD1-CG 4.49Å; I372-V406 HydrophobicContact CG2-CG1 4.12Å; I372-V406 HydrophobicContact CG2-CG2 3.93Å; I372-Q416 HydrophobicContact CG2-CB 4.26Å; I372-Q416 HydrophobicContact CG2-CG 3.92Å; I372-Q416 VanDerWaalsContact O-CG 3.24Å; I372-Q416 WeakPolarHBondContact O-CG 3.31Å; I372-Q416 PolarHBondContact O-NE2 3.48Å; I372-Q416 VanDerWaalsContact O-NE2 3.16Å; I372-L419 HydrophobicContact CD1-CD1 4.43Å; I372-L419 HydrophobicContact CG1-CD1 3.97Å; I372-L419 HydrophobicContact CG2-CD1 4.4Å
373L96.5Very high96.3Very high71 Ų7151.6 Ų51.637%0.37229%0.29SS..Hα-helixtrans-62.8-28.8177.8-69.4-179.8000112.8L369 R371 L375 V406 A409L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 3.96Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.42Å; L369-L373 WeakPolarHBondContact O-CB 3.12Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.37Å; R371-L373 PolarHBondContact O-N 3.14Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L373-V406 HydrophobicContact CD2-CB 4.46Å; L373-V406 HydrophobicContact CD2-CG1 4.5Å; L373-V406 HydrophobicContact CD2-CG2 4.19Å; L373-A409 HydrophobicContact CD2-CB 3.42Å; L373-A409 VanDerWaalsContact CD2-CB 3.42Å
374S95.6Very high96.2Very high94 Ų9453.7 Ų53.766%0.65730%0.303SS*.THydrogen-bonded Turntrans-85.8-1.5-179.6-54.30000114G370 R371 I372 T376G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 2.85Å; G370-S374 PolarHBondContact O-OG 2.85Å; R371-S374 PolarHBondContact O-N 3.49Å; R371-S374 VanDerWaalsContact O-N 3.17Å; I372-S374 PolarHBondContact O-N 3.09Å; S374-T376 PolarHBondContact O-N 3.18Å
375L96Very high96.1Very high29 Ų2956.3 Ų56.315%0.15232%0.319CS..  trans-67123-179.5-68.3173.7000111.8R371 I372 L373 A379 L383 A415 Q416 L419R371-L375 WeakPolarHBondContact O-CG 3.45Å; R371-L375 PolarHBondContact O-N 2.87Å; I372-L375 WeakPolarHBondContact O-CB 3.44Å; I372-L375 WeakPolarHBondContact O-CG 3.49Å; I372-L375 PolarHBondContact O-N 3.44Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L375-A379 HydrophobicContact CD1-CB 4.03Å; L375-A379 HydrophobicContact CD2-CB 4.29Å; L375-L383 HydrophobicContact CD2-CD2 4.22Å; L375-A415 HydrophobicContact CB-CB 4.14Å; L375-Q416 PolarHBondContact O-NE2 3.14Å; L375-L419 HydrophobicContact CD1-CD1 3.65Å
376T92.8Very high96.1Very high144 Ų14451.4 Ų51.488%0.88330%0.301SS*.SBendtrans-102.8-13.1169.255.80000112.8S374S374-T376 PolarHBondContact O-N 3.18Å
377S93.4Very high96.1Very high77 Ų7750.8 Ų50.854%0.53830%0.297SS..SBendtrans-139.6176.4177.260.20000109.5A415S377-A415 VanDerWaalsContact O-CB 3.24Å; S377-A415 WeakPolarHBondContact O-CB 3.38Å
378S92.9Very high96Very high82 Ų8254.1 Ų54.157%0.57332%0.317SS*.SBendtrans-50.2142.7172.5-580000111.3
379A94.6Very high95.9Very high19 Ų1955.9 Ų55.916%0.15733%0.329CS..PPolyproline II helixtrans-61.3148.1-179.200000111.5L375 L383 L419L375-A379 HydrophobicContact CD1-CB 4.03Å; L375-A379 HydrophobicContact CD2-CB 4.29Å; A379-L383 HydrophobicContact CB-CD2 3.98Å; A379-L383 HydrophobicContact CB-CG 4.37Å; A379-L419 HydrophobicContact CB-CD1 4.03Å; A379-L419 HydrophobicContact CB-CD2 4.19Å; A379-L419 HydrophobicContact CB-CG 4.49Å
380S96.1Very high95.9Very high45 Ų4554.4 Ų54.432%0.31532%0.321SS..PPolyproline II helixtrans-59.5155.2174.179.20000110.8D338 L382 L383 T384D338-S380 WeakPolarHBondContact OD2-CB 3.23Å; D338-S380 PolarHBondContact OD2-OG 2.99Å; S380-L382 PolarHBondContact O-N 3.23Å; S380-L383 PolarHBondContact O-N 3.5Å; S380-L383 VanDerWaalsContact OG-CB 3.31Å; S380-L383 WeakPolarHBondContact OG-CB 3.46Å; S380-L383 PolarHBondContact OG-N 3.25Å; S380-T384 WeakPolarHBondContact O-CB 3.36Å; S380-T384 PolarHBondContact O-N 3.43Å; S380-T384 PolarHBondContact O-OG1 3.1Å
381R95.9Very high96Very high215 Ų21552.6 Ų52.681%0.81130%0.303SS*.Hα-helixtrans-57.4-39.3175.1-178179.3171.4-171.9-1.3111.5T385R381-T385 VanDerWaalsContact O-CB 3.32Å; R381-T385 WeakPolarHBondContact O-CB 3.44Å; R381-T385 PolarHBondContact O-N 3.12Å; R381-T385 PolarHBondContact O-OG1 3.27Å
382L95.7Very high95.9Very high69 Ų6953.8 Ų53.836%0.36132%0.321SS..Hα-helixtrans-66.9-47.6179.8-67.9177.4000111.6D338 L339 L342 S380 T384 T385 A386D338-L382 HydrophobicContact CB-CB 3.82Å; D338-L382 HydrophobicContact CB-CD1 4.17Å; L339-L382 HydrophobicContact CB-CD1 4.35Å; L342-L382 HydrophobicContact CD2-CD2 3.74Å; S380-L382 PolarHBondContact O-N 3.23Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 2.94Å; L382-T385 PolarHBondContact O-N 3.39Å; L382-A386 WeakPolarHBondContact O-CB 3.29Å; L382-A386 PolarHBondContact O-N 3.07Å
383L96.8Very high95.8Very high5 Ų557.5 Ų57.53%0.02634%0.337CS..Hα-helixtrans-59.7-44.1176177.559000111.4L341 F368 R371 L375 A379 S380 A386 L387L341-L383 HydrophobicContact CD2-CD1 3.66Å; F368-L383 HydrophobicContact CD1-CD1 4.02Å; F368-L383 HydrophobicContact CE1-CD1 4.49Å; R371-L383 HydrophobicContact CB-CD1 4.41Å; R371-L383 HydrophobicContact CB-CD2 4.33Å; L375-L383 HydrophobicContact CD2-CD2 4.22Å; A379-L383 HydrophobicContact CB-CD2 3.98Å; A379-L383 HydrophobicContact CB-CG 4.37Å; S380-L383 PolarHBondContact O-N 3.5Å; S380-L383 VanDerWaalsContact OG-CB 3.31Å; S380-L383 WeakPolarHBondContact OG-CB 3.46Å; S380-L383 PolarHBondContact OG-N 3.25Å; L383-A386 PolarHBondContact O-N 3.31Å; L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 PolarHBondContact O-N 2.96Å
384T96.7Very high95.8Very high47 Ų4754.6 Ų54.629%0.28832%0.321SS..Hα-helixtrans-63.3-43.1177.8-560000111.3S380 L382 L387 T388S380-T384 WeakPolarHBondContact O-CB 3.36Å; S380-T384 PolarHBondContact O-N 3.43Å; S380-T384 PolarHBondContact O-OG1 3.1Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 2.94Å; T384-L387 PolarHBondContact O-N 3.34Å; T384-T388 HydrophobicContact CG2-CG2 4.3Å; T384-T388 WeakPolarHBondContact O-CB 3.26Å; T384-T388 VanDerWaalsContact O-CG2 3.29Å; T384-T388 WeakPolarHBondContact O-CG2 3.34Å; T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 PolarHBondContact O-OG1 3.36Å
385T96.6Very high95.9Very high56 Ų5650.7 Ų50.734%0.34429%0.293SS..Hα-helixtrans-66.3-43.3178.7-55.40000111.1L342 R381 L382 T388 S389L342-T385 HydrophobicContact CD1-CG2 3.96Å; R381-T385 VanDerWaalsContact O-CB 3.32Å; R381-T385 WeakPolarHBondContact O-CB 3.44Å; R381-T385 PolarHBondContact O-N 3.12Å; R381-T385 PolarHBondContact O-OG1 3.27Å; L382-T385 PolarHBondContact O-N 3.39Å; T385-T388 PolarHBondContact O-OG1 2.84Å; T385-S389 VanDerWaalsContact O-CB 3.26Å; T385-S389 WeakPolarHBondContact O-CB 3.36Å; T385-S389 PolarHBondContact O-N 3.09Å; T385-S389 PolarHBondContact O-OG 3.16Å
386A97.4Very high95.9Very high0 Ų051.5 Ų51.50%029%0.294CS..Hα-helixtrans-62.3-47.4177.300000111.1L341 L342 F368 L382 L383 S389 F390L341-A386 HydrophobicContact CD2-CB 4.32Å; L341-A386 HydrophobicContact CG-CB 4.11Å; L342-A386 HydrophobicContact CB-CB 4.15Å; L342-A386 HydrophobicContact CD1-CB 3.89Å; F368-A386 HydrophobicContact CE1-CB 4.15Å; L382-A386 WeakPolarHBondContact O-CB 3.29Å; L382-A386 PolarHBondContact O-N 3.07Å; L383-A386 PolarHBondContact O-N 3.31Å; A386-S389 PolarHBondContact O-OG 3.48Å; A386-S389 VanDerWaalsContact O-OG 3.07Å; A386-F390 WeakPolarHBondContact O-CB 3.32Å; A386-F390 PolarHBondContact O-N 3.43Å
387L97.9Very high96.1Very high2 Ų245.4 Ų45.41%0.0126%0.257CS..Hα-helixtrans-64.3-47.4179.6177.262.3000112.2F368 I372 L383 T384 C391 V398 L402 L419 L423F368-L387 HydrophobicContact CB-CD1 4.49Å; F368-L387 HydrophobicContact CD1-CB 4.18Å; F368-L387 HydrophobicContact CD1-CD1 4.1Å; F368-L387 HydrophobicContact CD2-CD1 4.17Å; F368-L387 HydrophobicContact CE1-CB 3.99Å; F368-L387 HydrophobicContact CE1-CD1 4.35Å; F368-L387 HydrophobicContact CE2-CD1 4.42Å; F368-L387 HydrophobicContact CG-CD1 4Å; F368-L387 HydrophobicContact CZ-CD1 4.49Å; I372-L387 HydrophobicContact CD1-CD2 4.22Å; L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 PolarHBondContact O-N 2.96Å; T384-L387 PolarHBondContact O-N 3.34Å; L387-C391 WeakPolarHBondContact O-CB 3.43Å; L387-C391 PolarHBondContact O-N 3.09Å; L387-V398 HydrophobicContact CD1-CG1 3.89Å; L387-L402 HydrophobicContact CD1-CD1 3.77Å; L387-L419 HydrophobicContact CD2-CD1 4.41Å; L387-L419 HydrophobicContact CD2-CD2 4.31Å; L387-L423 HydrophobicContact CD1-CD2 4.24Å; L387-L423 HydrophobicContact CD2-CD1 4.39Å; L387-L423 HydrophobicContact CD2-CD2 4.32Å; L387-L423 HydrophobicContact CG-CD2 4.1Å
388T96.3Very high96.3Very high70 Ų7041.8 Ų41.843%0.42923%0.232SC..Hα-helixtrans-71.1-39.5-176.452.20000112.4T384 T385 C391 A392T384-T388 HydrophobicContact CG2-CG2 4.3Å; T384-T388 WeakPolarHBondContact O-CB 3.26Å; T384-T388 VanDerWaalsContact O-CG2 3.29Å; T384-T388 WeakPolarHBondContact O-CG2 3.34Å; T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 PolarHBondContact O-OG1 3.36Å; T385-T388 PolarHBondContact O-OG1 2.84Å; T388-C391 PolarHBondContact O-N 3.07Å; T388-A392 PolarHBondContact O-N 2.91Å
389S96Very high96.4Very high38 Ų3838 Ų3827%0.26621%0.205SC..Hα-helixtrans-64.7-43.7173.559.50000111.8T385 A386 C391 A392T385-S389 VanDerWaalsContact O-CB 3.26Å; T385-S389 WeakPolarHBondContact O-CB 3.36Å; T385-S389 PolarHBondContact O-N 3.09Å; T385-S389 PolarHBondContact O-OG 3.16Å; A386-S389 PolarHBondContact O-OG 3.48Å; A386-S389 VanDerWaalsContact O-OG 3.07Å; S389-C391 VanDerWaalsContact C-N 3.35Å; S389-C391 PolarHBondContact O-N 3.41Å; S389-A392 WeakPolarHBondContact O-CB 3.43Å; S389-A392 PolarHBondContact O-N 3.38Å
390F97.4Very high96.4Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-64.1-41.3176-164.3-103.8000111.7C345 L348 L349 F368 A386 A392 K393 Y394 V398C345-F390 HydrophobicContact CB-CD2 4.41Å; L348-F390 HydrophobicContact CB-CE2 3.97Å; L348-F390 HydrophobicContact CD1-CE2 4.29Å; L349-F390 HydrophobicContact CD2-CD2 4.22Å; L349-F390 HydrophobicContact CG-CD2 4.19Å; F368-F390 HydrophobicContact CE2-CB 4.38Å; F368-F390 AromaticContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CD1 3.88Å; F368-F390 HydrophobicContact CE2-CG 4.25Å; F368-F390 HydrophobicContact CZ-CB 4.18Å; F368-F390 HydrophobicContact CZ-CD1 4.49Å; F368-F390 HydrophobicContact CZ-CG 4.43Å; A386-F390 WeakPolarHBondContact O-CB 3.32Å; A386-F390 PolarHBondContact O-N 3.43Å; F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.46Å; F390-K393 PolarHBondContact O-N 3.23Å; F390-Y394 HydrophobicContact CD1-CD2 4.4Å; F390-Y394 HydrophobicContact CD2-CD2 4.05Å; F390-Y394 HydrophobicContact CD2-CE2 4.47Å; F390-Y394 AromaticContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CG 4.4Å; F390-Y394 AromaticContact CE2-CD2 3.59Å; F390-Y394 HydrophobicContact CE2-CD2 3.59Å; F390-Y394 AromaticContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CG-CD2 4.43Å; F390-Y394 AromaticContact CZ-CD2 3.55Å; F390-Y394 HydrophobicContact CZ-CD2 3.55Å; F390-Y394 AromaticContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.26Å; F390-Y394 PolarHBondContact O-N 2.93Å; F390-V398 HydrophobicContact CD1-CG2 3.56Å; F390-V398 HydrophobicContact CE1-CG2 3.94Å
391C97.1Very high96.5Very high4 Ų439.8 Ų39.83%0.02720%0.201CC..Hα-helixtrans-64-31.5174.9-171.30000112.8L387 T388 S389 K393 T395 V398 L423L387-C391 WeakPolarHBondContact O-CB 3.43Å; L387-C391 PolarHBondContact O-N 3.09Å; T388-C391 PolarHBondContact O-N 3.07Å; S389-C391 VanDerWaalsContact C-N 3.35Å; S389-C391 PolarHBondContact O-N 3.41Å; C391-K393 PolarHBondContact O-N 2.79Å; C391-T395 WeakPolarHBondContact O-CA 3.5Å; C391-T395 WeakPolarHBondContact O-CB 3.46Å; C391-T395 PolarHBondContact O-N 2.99Å; C391-T395 PolarHBondContact O-OG1 3.05Å; C391-V398 HydrophobicContact CB-CB 4.37Å; C391-V398 HydrophobicContact CB-CG1 4.09Å; C391-V398 HydrophobicContact CB-CG2 4.45Å; C391-L423 HydrophobicContact CB-CD2 3.86Å; C391-L423 WeakPolarHBondContact SG-CD2 3.48Å
392A95.6Very high96.6Very high63 Ų6329.5 Ų29.552%0.52116%0.162SC..Hα-helixtrans-60.4-34.3178.700000112.6T388 S389 F390T388-A392 PolarHBondContact O-N 2.91Å; S389-A392 WeakPolarHBondContact O-CB 3.43Å; S389-A392 PolarHBondContact O-N 3.38Å; F390-A392 VanDerWaalsContact C-N 3.31Å; F390-A392 PolarHBondContact O-N 3.46Å
393K94.8Very high96.5Very high77 Ų7726.4 Ų26.434%0.33515%0.146SC..Hα-helixtrans-92.1-42.4176.1-171.9173.2179.3179.20112.8L349 L351 D354 F390 C391L349-K393 HydrophobicContact CD2-CB 3.37Å; L349-K393 HydrophobicContact CD2-CD 3.65Å; L349-K393 HydrophobicContact CD2-CG 4.08Å; L349-K393 PolarHBondContact O-NZ 3.29Å; L351-K393 PolarHBondContact O-NZ 2.93Å; D354-K393 VanDerWaalsContact CG-CE 3.42Å; D354-K393 WeakPolarHBondContact OD1-CE 3.4Å; D354-K393 IonicContact OD1-NZ 2.9Å; D354-K393 PolarHBondContact OD1-NZ 3.49Å; F390-K393 PolarHBondContact O-N 3.23Å; C391-K393 PolarHBondContact O-N 2.79Å
394Y96.8Very high96.4Very high11 Ų1128 Ų284%0.04315%0.154CC..SBendtrans-110.143.3-174-62.7-70.8000112.5L349 D354 L355 A360 F390 Y396 P397 V398L349-Y394 HydrophobicContact CD2-CD2 4.31Å; L349-Y394 HydrophobicContact CD2-CE2 4.26Å; D354-Y394 HydrophobicContact CB-CE1 4.29Å; L355-Y394 HydrophobicContact CB-CE1 3.99Å; L355-Y394 PolarHBondContact N-OH 3.41Å; L355-Y394 VanDerWaalsContact N-OH 3.14Å; A360-Y394 HydrophobicContact CB-CD1 3.92Å; A360-Y394 HydrophobicContact CB-CE1 4.35Å; A360-Y394 HydrophobicContact CB-CG 4.3Å; F390-Y394 HydrophobicContact CD1-CD2 4.4Å; F390-Y394 HydrophobicContact CD2-CD2 4.05Å; F390-Y394 HydrophobicContact CD2-CE2 4.47Å; F390-Y394 AromaticContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CD2 3.97Å; F390-Y394 HydrophobicContact CE1-CG 4.4Å; F390-Y394 AromaticContact CE2-CD2 3.59Å; F390-Y394 HydrophobicContact CE2-CD2 3.59Å; F390-Y394 AromaticContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CE2-CE2 3.79Å; F390-Y394 HydrophobicContact CG-CD2 4.43Å; F390-Y394 AromaticContact CZ-CD2 3.55Å; F390-Y394 HydrophobicContact CZ-CD2 3.55Å; F390-Y394 AromaticContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CE2 4Å; F390-Y394 HydrophobicContact CZ-CG 4.26Å; F390-Y394 PolarHBondContact O-N 2.93Å; Y394-Y396 PolarHBondContact O-N 3.38Å; Y394-P397 HydrophobicContact CD1-CG 4.45Å; Y394-P397 WeakPolarHBondContact O-CD 3.39Å; Y394-V398 WeakPolarHBondContact O-CB 3.31Å; Y394-V398 VanDerWaalsContact O-CG2 3.27Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 3.01Å
395T96.4Very high96.3Very high12 Ų1227.5 Ų27.57%0.07415%0.152CC..Hα-helixtrans-52.3-55.7-167.8-30.40000114.1C391 V398 C399 A426 S428 L429C391-T395 WeakPolarHBondContact O-CA 3.5Å; C391-T395 WeakPolarHBondContact O-CB 3.46Å; C391-T395 PolarHBondContact O-N 2.99Å; C391-T395 PolarHBondContact O-OG1 3.05Å; T395-V398 PolarHBondContact O-N 3.41Å; T395-C399 WeakPolarHBondContact O-CB 3.35Å; T395-C399 PolarHBondContact O-N 3.15Å; T395-C399 PolarHBondContact O-SG 3.15Å; T395-A426 HydrophobicContact CG2-CB 4.04Å; T395-S428 VanDerWaalsContact CG2-OG 3.31Å; T395-S428 WeakPolarHBondContact CG2-OG 3.28Å; T395-S428 VanDerWaalsContact OG1-CB 3.27Å; T395-S428 WeakPolarHBondContact OG1-CB 3.35Å; T395-S428 PolarHBondContact OG1-O 3.03Å; T395-S428 PolarHBondContact OG1-OG 3.37Å; T395-L429 HydrophobicContact CG2-CB 3.79Å; T395-L429 HydrophobicContact CG2-CD1 3.96Å; T395-L429 HydrophobicContact CG2-CG 4.47Å
396Y96Very high96.3Very high46 Ų4624.9 Ų24.918%0.1814%0.136CC..Hα-helixtrans-67.7-47-179.1178.5-114.5000112.8L357 Y394 V398 C399 R400 A433 L436 M437L357-Y396 HydrophobicContact CD1-CD1 3.77Å; L357-Y396 HydrophobicContact CD1-CE1 4.13Å; L357-Y396 HydrophobicContact CD2-CE1 4.24Å; Y394-Y396 PolarHBondContact O-N 3.38Å; Y396-V398 PolarHBondContact O-N 3.42Å; Y396-C399 PolarHBondContact O-N 3.41Å; Y396-R400 HydrophobicContact CE2-CB 4.46Å; Y396-R400 VanDerWaalsContact O-CB 3.23Å; Y396-R400 WeakPolarHBondContact O-CB 3.21Å; Y396-R400 PolarHBondContact O-N 3.07Å; Y396-A433 HydrophobicContact CD2-CB 3.65Å; Y396-A433 HydrophobicContact CE2-CB 4.36Å; Y396-A433 HydrophobicContact CG-CB 4.04Å; Y396-L436 HydrophobicContact CE1-CD1 4.45Å; Y396-L436 HydrophobicContact CE2-CB 4.02Å; Y396-L436 HydrophobicContact CE2-CD1 4.18Å; Y396-L436 WeakPolarHBondContact OH-CD1 3.27Å; Y396-M437 HydrophobicContact CD2-CG 4.45Å; Y396-M437 HydrophobicContact CD2-SD 4.06Å; Y396-M437 HydrophobicContact CE2-CG 4.41Å; Y396-M437 HydrophobicContact CE2-SD 3.88Å
397P97Very high96.2Very high16 Ų1625 Ų2510%0.10414%0.137CC..Hα-helixtrans-51-42.9171.5-20.219.2000113.5L357 A360 T361 Y394 A401L357-P397 HydrophobicContact CD1-CB 3.97Å; L357-P397 HydrophobicContact CD1-CG 3.57Å; A360-P397 HydrophobicContact CB-CB 3.74Å; A360-P397 HydrophobicContact CB-CG 4.05Å; T361-P397 PolarHBondContact OG1-O 3.46Å; Y394-P397 HydrophobicContact CD1-CG 4.45Å; Y394-P397 WeakPolarHBondContact O-CD 3.39Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.31Å
398V98Very high96Very high0 Ų030.7 Ų30.70%016%0.163CC..Hα-helixtrans-68.2-51.3-178.8171.50000111.5T364 L387 F390 C391 Y394 T395 Y396 R400 A401 L402 L423T364-V398 HydrophobicContact CG2-CB 4.15Å; T364-V398 HydrophobicContact CG2-CG1 4.02Å; T364-V398 HydrophobicContact CG2-CG2 3.97Å; L387-V398 HydrophobicContact CD1-CG1 3.89Å; F390-V398 HydrophobicContact CD1-CG2 3.56Å; F390-V398 HydrophobicContact CE1-CG2 3.94Å; C391-V398 HydrophobicContact CB-CB 4.37Å; C391-V398 HydrophobicContact CB-CG1 4.09Å; C391-V398 HydrophobicContact CB-CG2 4.45Å; Y394-V398 WeakPolarHBondContact O-CB 3.31Å; Y394-V398 VanDerWaalsContact O-CG2 3.27Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 3.01Å; T395-V398 PolarHBondContact O-N 3.41Å; Y396-V398 PolarHBondContact O-N 3.42Å; V398-R400 VanDerWaalsContact C-N 3.34Å; V398-R400 PolarHBondContact O-N 3.38Å; V398-A401 PolarHBondContact O-N 3.37Å; V398-L402 HydrophobicContact CG1-CD1 3.86Å; V398-L402 WeakPolarHBondContact O-CG 3.25Å; V398-L402 PolarHBondContact O-N 2.99Å; V398-L402 VanDerWaalsContact O-N 3.15Å; V398-L423 HydrophobicContact CG1-CD1 4.27Å; V398-L423 HydrophobicContact CG1-CD2 3.98Å
399C96.3Very high95.8Very high3 Ų328.5 Ų28.52%0.0215%0.152CC..Hα-helixtrans-57.7-48.3178.1-67.50000110.8T395 Y396 A401 L402 L403 M437T395-C399 WeakPolarHBondContact O-CB 3.35Å; T395-C399 PolarHBondContact O-N 3.15Å; T395-C399 PolarHBondContact O-SG 3.15Å; Y396-C399 PolarHBondContact O-N 3.41Å; C399-A401 VanDerWaalsContact C-N 3.32Å; C399-A401 PolarHBondContact O-N 2.97Å; C399-L402 PolarHBondContact O-N 3.33Å; C399-L403 WeakPolarHBondContact O-CB 3.46Å; C399-L403 PolarHBondContact O-N 3Å; C399-M437 HydrophobicContact CB-CE 3.74Å; C399-M437 HydrophobicContact CB-CG 4.4Å; C399-M437 HydrophobicContact CB-SD 3.72Å
400R94.8Very high95.4Very high101 Ų10136.2 Ų36.238%0.38118%0.184SC..Hα-helixtrans-63-36.6179.4-178.9178.5178.8173.11.6112.9Y396 V398 M437Y396-R400 HydrophobicContact CE2-CB 4.46Å; Y396-R400 VanDerWaalsContact O-CB 3.23Å; Y396-R400 WeakPolarHBondContact O-CB 3.21Å; Y396-R400 PolarHBondContact O-N 3.07Å; V398-R400 VanDerWaalsContact C-N 3.34Å; V398-R400 PolarHBondContact O-N 3.38Å; R400-M437 HydrophobicContact CB-SD 4.44Å
401A97.1Very high94.6Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-68-38.7-179.100000112.6T361 T364 R365 P397 V398 C399 P405T361-A401 HydrophobicContact CG2-CB 3.94Å; T364-A401 HydrophobicContact CG2-CB 3.69Å; R365-A401 HydrophobicContact CG-CB 3.88Å; R365-A401 PolarHBondContact NE-O 2.83Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.31Å; V398-A401 PolarHBondContact O-N 3.37Å; C399-A401 VanDerWaalsContact C-N 3.32Å; C399-A401 PolarHBondContact O-N 2.97Å; A401-P405 WeakPolarHBondContact O-CD 3.26Å; A401-P405 WeakPolarHBondContact O-CG 3.37Å
402L97.4Very high94.3Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-100.8-33.3-167.5-62.5176.8000113.8T364 F368 L369 I372 L387 V398 C399 P405 V406 L420 L423T364-L402 HydrophobicContact CG2-CD1 3.89Å; T364-L402 HydrophobicContact CG2-CD2 4.05Å; T364-L402 HydrophobicContact CG2-CG 3.77Å; F368-L402 HydrophobicContact CB-CD1 4.37Å; F368-L402 HydrophobicContact CB-CD2 4.16Å; L369-L402 HydrophobicContact CB-CD2 4.14Å; L369-L402 HydrophobicContact CD1-CD2 4.38Å; I372-L402 HydrophobicContact CD1-CD1 3.79Å; I372-L402 HydrophobicContact CD1-CD2 4.12Å; I372-L402 HydrophobicContact CD1-CG 4.49Å; L387-L402 HydrophobicContact CD1-CD1 3.77Å; V398-L402 HydrophobicContact CG1-CD1 3.86Å; V398-L402 WeakPolarHBondContact O-CG 3.25Å; V398-L402 PolarHBondContact O-N 2.99Å; V398-L402 VanDerWaalsContact O-N 3.15Å; C399-L402 PolarHBondContact O-N 3.33Å; L402-P405 WeakPolarHBondContact O-CD 3.46Å; L402-V406 WeakPolarHBondContact O-CB 3.48Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 2.99Å; L402-L420 HydrophobicContact CB-CD2 4.37Å; L402-L423 HydrophobicContact CD1-CD1 3.87Å
403L94.9Very high94.2Very high3 Ų337.8 Ų37.82%0.01621%0.205CC..Hα-helixtrans-60.4-58.3-170.1-170.291.7000112.9C399 L407 V424 M437 I441 V453C399-L403 WeakPolarHBondContact O-CB 3.46Å; C399-L403 PolarHBondContact O-N 3Å; L403-L407 HydrophobicContact CD1-CD1 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.93Å; L403-L407 VanDerWaalsContact O-CB 3.31Å; L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.01Å; L403-V424 HydrophobicContact CD1-CG1 4.05Å; L403-M437 HydrophobicContact CB-CE 3.65Å; L403-M437 HydrophobicContact CD1-CE 4.18Å; L403-M437 HydrophobicContact CD2-CE 3.26Å; L403-M437 HydrophobicContact CG-CE 3.86Å; L403-I441 HydrophobicContact CD1-CD1 4.38Å; L403-I441 HydrophobicContact CD1-CG1 4.49Å; L403-I441 HydrophobicContact CD2-CD1 3.82Å; L403-I441 HydrophobicContact CD2-CG1 3.26Å; L403-I441 HydrophobicContact CG-CG1 4.3Å; L403-V453 HydrophobicContact CD1-CG1 3.68Å
404D93.2Very high94.1Very high38 Ų3839.3 Ų39.320%0.20322%0.223CC..Hα-helixtrans-64.2-49.4-176.6-63.1-25.9000112.1V406 L407 Q408D404-V406 PolarHBondContact O-N 2.91Å; D404-L407 PolarHBondContact O-N 3.48Å; D404-Q408 WeakPolarHBondContact O-CB 3.45Å; D404-Q408 VanDerWaalsContact O-CG 3.3Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.09Å
405P95.3Very high94Very high38 Ų3839.4 Ų39.425%0.24723%0.226CC..Hα-helixtrans-64.2-38.6-178.1-24.237.3000113.2L369 A401 L402 A409L369-P405 HydrophobicContact CD1-CB 3.76Å; L369-P405 HydrophobicContact CD2-CB 3.88Å; L369-P405 HydrophobicContact CD2-CG 4.38Å; L369-P405 HydrophobicContact CG-CB 4.49Å; A401-P405 WeakPolarHBondContact O-CD 3.26Å; A401-P405 WeakPolarHBondContact O-CG 3.37Å; L402-P405 WeakPolarHBondContact O-CD 3.46Å; P405-A409 WeakPolarHBondContact O-CB 3.29Å; P405-A409 PolarHBondContact O-N 2.8Å; P405-A409 VanDerWaalsContact O-N 3.08Å
406V96.6Very high94Very high0 Ų039.2 Ų39.20%022%0.224CC..Hα-helixtrans-72.3-38.9179.7177.10000111.2L369 I372 L373 L402 D404 T412 Q416 L420L369-V406 HydrophobicContact CD1-CG2 3.62Å; I372-V406 HydrophobicContact CG2-CG1 4.12Å; I372-V406 HydrophobicContact CG2-CG2 3.93Å; L373-V406 HydrophobicContact CD2-CB 4.46Å; L373-V406 HydrophobicContact CD2-CG1 4.5Å; L373-V406 HydrophobicContact CD2-CG2 4.19Å; L402-V406 WeakPolarHBondContact O-CB 3.48Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 2.99Å; D404-V406 PolarHBondContact O-N 2.91Å; V406-T412 HydrophobicContact CG1-CG2 4.06Å; V406-T412 WeakPolarHBondContact O-CG2 3.26Å; V406-T412 PolarHBondContact O-OG1 3.48Å; V406-Q416 HydrophobicContact CG1-CB 3.78Å; V406-Q416 HydrophobicContact CG1-CG 4.24Å; V406-L420 HydrophobicContact CB-CD1 4.03Å; V406-L420 HydrophobicContact CB-CD2 4.3Å; V406-L420 HydrophobicContact CG1-CD1 3.72Å; V406-L420 HydrophobicContact CG1-CD2 4.37Å; V406-L420 HydrophobicContact CG1-CG 4.13Å
407L94.6Very high94Very high3 Ų337.5 Ų37.52%0.01622%0.218CC..Hα-helixtrans-72.5-27.6176.5-70.9176.8000112.7L403 D404 L420 L444 K447 E449 I450 V453L403-L407 HydrophobicContact CD1-CD1 4.18Å; L403-L407 HydrophobicContact CG-CD1 3.93Å; L403-L407 VanDerWaalsContact O-CB 3.31Å; L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.01Å; D404-L407 PolarHBondContact O-N 3.48Å; L407-L420 HydrophobicContact CD2-CD1 3.71Å; L407-L420 HydrophobicContact CG-CD1 3.74Å; L407-L444 HydrophobicContact CB-CD1 3.9Å; L407-L444 HydrophobicContact CD1-CD1 3.65Å; L407-L444 HydrophobicContact CG-CD1 4.44Å; L407-K447 WeakPolarHBondContact O-CE 3.49Å; L407-K447 PolarHBondContact O-NZ 3.29Å; L407-E449 HydrophobicContact CD2-CB 4.1Å; L407-I450 HydrophobicContact CD1-CG1 4.32Å; L407-I450 HydrophobicContact CD2-CG1 4.17Å; L407-V453 HydrophobicContact CD2-CG2 4.17Å
408Q93.8Very high93.9Very high122 Ų12241.8 Ų41.857%0.5724%0.237SC*.Hα-helixtrans-84.6-19.1177.1-70.2-172.812.800113.8D404 L444D404-Q408 WeakPolarHBondContact O-CB 3.45Å; D404-Q408 VanDerWaalsContact O-CG 3.3Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.09Å; Q408-L444 HydrophobicContact CG-CD2 3.9Å
409A93.7Very high93.9Very high23 Ų2342.5 Ų42.519%0.1924%0.241CC..SBendtrans-59147.6178.800000112.6L373 P405 T412 K447L373-A409 HydrophobicContact CD2-CB 3.42Å; L373-A409 VanDerWaalsContact CD2-CB 3.42Å; P405-A409 WeakPolarHBondContact O-CB 3.29Å; P405-A409 PolarHBondContact O-N 2.8Å; P405-A409 VanDerWaalsContact O-N 3.08Å; A409-T412 PolarHBondContact O-OG1 3.49Å; A409-K447 PolarHBondContact O-NZ 3.21Å
410Q85.9Confident93.9Very high201 Ų20142.4 Ų42.494%0.93924%0.24SC*.THydrogen-bonded Turntrans-78.1135.2169.9-62.8-173.48.800108.6
411G82.1Confident94Very high76 Ų7638.5 Ų38.578%0.78423%0.228SC*.THydrogen-bonded Turntrans82.611.7-179.700000115.6G413G411-G413 PolarHBondContact O-N 3Å; G411-G413 VanDerWaalsContact O-N 3.17Å
412T90.4Very high93.9Very high9 Ų942 Ų426%0.05525%0.251CS..  trans-54.5120.5167.7-430000109.5V406 A409 Q416 T417 K447 E449V406-T412 HydrophobicContact CG1-CG2 4.06Å; V406-T412 WeakPolarHBondContact O-CG2 3.26Å; V406-T412 PolarHBondContact O-OG1 3.48Å; A409-T412 PolarHBondContact O-OG1 3.49Å; T412-Q416 HydrophobicContact CG2-CB 3.78Å; T412-Q416 HydrophobicContact CG2-CG 4.44Å; T412-T417 HydrophobicContact CG2-CG2 4.27Å; T412-K447 PolarHBondContact OG1-NZ 2.7Å; T412-E449 HydrophobicContact CG2-CB 4.46Å; T412-E449 HydrophobicContact CG2-CG 4.02Å
413G92.6Very high93.8Very high15 Ų1542.3 Ų42.316%0.15525%0.253CS..  trans-124.5-166.8-178.100000113.2G411 A415 Q416 T417G411-G413 PolarHBondContact O-N 3Å; G411-G413 VanDerWaalsContact O-N 3.17Å; G413-A415 VanDerWaalsContact C-N 3.34Å; G413-A415 PolarHBondContact O-N 3.03Å; G413-Q416 PolarHBondContact O-N 3.41Å; G413-Q416 PolarHBondContact O-OE1 3.33Å; G413-T417 WeakPolarHBondContact O-CG2 3.49Å; G413-T417 PolarHBondContact O-N 3.38Å; G413-T417 PolarHBondContact O-OG1 3.14Å
414P94.1Very high93.8Very high109 Ų10942.2 Ų42.271%0.70825%0.253SS*.Hα-helixtrans-53.8-46.1-176.2-28.536.1000113.4Q416 T417 E418P414-Q416 VanDerWaalsContact C-N 3.33Å; P414-Q416 PolarHBondContact O-N 3.36Å; P414-T417 WeakPolarHBondContact CA-OG1 3.39Å; P414-T417 PolarHBondContact O-N 3.16Å; P414-T417 VanDerWaalsContact O-N 3.15Å; P414-T417 PolarHBondContact O-OG1 3.06Å; P414-E418 WeakPolarHBondContact O-CB 3.32Å; P414-E418 PolarHBondContact O-N 3.38Å
415A94.8Very high93.9Very high12 Ų1244.7 Ų44.710%0.09926%0.262CS..Hα-helixtrans-58.1-42.2-178.400000112.9L375 S377 G413L375-A415 HydrophobicContact CB-CB 4.14Å; S377-A415 VanDerWaalsContact O-CB 3.24Å; S377-A415 WeakPolarHBondContact O-CB 3.38Å; G413-A415 VanDerWaalsContact C-N 3.34Å; G413-A415 PolarHBondContact O-N 3.03Å
416Q96.3Very high93.8Very high9 Ų944 Ų444%0.04226%0.259CS..Hα-helixtrans-70.6-45.1176.1-65.8825.400111.4I372 L375 V406 T412 G413 P414 E418 L419 L420I372-Q416 HydrophobicContact CG2-CB 4.26Å; I372-Q416 HydrophobicContact CG2-CG 3.92Å; I372-Q416 VanDerWaalsContact O-CG 3.24Å; I372-Q416 WeakPolarHBondContact O-CG 3.31Å; I372-Q416 PolarHBondContact O-NE2 3.48Å; I372-Q416 VanDerWaalsContact O-NE2 3.16Å; L375-Q416 PolarHBondContact O-NE2 3.14Å; V406-Q416 HydrophobicContact CG1-CB 3.78Å; V406-Q416 HydrophobicContact CG1-CG 4.24Å; T412-Q416 HydrophobicContact CG2-CB 3.78Å; T412-Q416 HydrophobicContact CG2-CG 4.44Å; G413-Q416 PolarHBondContact O-N 3.41Å; G413-Q416 PolarHBondContact O-OE1 3.33Å; P414-Q416 VanDerWaalsContact C-N 3.33Å; P414-Q416 PolarHBondContact O-N 3.36Å; Q416-E418 VanDerWaalsContact C-N 3.31Å; Q416-E418 PolarHBondContact O-N 2.98Å; Q416-L419 PolarHBondContact O-N 2.87Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 3.27Å
417T95.6Very high93.5Very high9 Ų953 Ų536%0.05530%0.301CS..Hα-helixtrans-65.8-34.1-177.756.50000113.1T412 G413 P414 L420 C421 E449T412-T417 HydrophobicContact CG2-CG2 4.27Å; G413-T417 WeakPolarHBondContact O-CG2 3.49Å; G413-T417 PolarHBondContact O-N 3.38Å; G413-T417 PolarHBondContact O-OG1 3.14Å; P414-T417 WeakPolarHBondContact CA-OG1 3.39Å; P414-T417 PolarHBondContact O-N 3.16Å; P414-T417 VanDerWaalsContact O-N 3.15Å; P414-T417 PolarHBondContact O-OG1 3.06Å; T417-L420 PolarHBondContact O-N 3.29Å; T417-C421 WeakPolarHBondContact O-CB 3.25Å; T417-C421 PolarHBondContact O-N 2.99Å; T417-C421 PolarHBondContact O-SG 3.35Å; T417-E449 HydrophobicContact CG2-CB 3.43Å; T417-E449 VanDerWaalsContact CG2-CB 3.43Å; T417-E449 HydrophobicContact CG2-CG 3.47Å; T417-E449 VanDerWaalsContact CG2-CG 3.47Å
418E95.7Very high93.4Very high106 Ų10655.3 Ų55.350%0.49532%0.317SS..Hα-helixtrans-60.2-49175.8-176.4178.7-173.700110.4P414 Q416 L420 C421 C422P414-E418 WeakPolarHBondContact O-CB 3.32Å; P414-E418 PolarHBondContact O-N 3.38Å; Q416-E418 VanDerWaalsContact C-N 3.31Å; Q416-E418 PolarHBondContact O-N 2.98Å; E418-L420 PolarHBondContact O-N 3.48Å; E418-C421 PolarHBondContact O-N 3.49Å; E418-C422 PolarHBondContact O-N 2.98Å; E418-C422 PolarHBondContact O-SG 3.11Å
419L96.7Very high93.4Very high15 Ų1549.6 Ų49.68%0.07929%0.291CS..Hα-helixtrans-60.1-46.1175.2-68179.1000111.9I372 L375 A379 L387 Q416 C421 C422 L423I372-L419 HydrophobicContact CD1-CD1 4.43Å; I372-L419 HydrophobicContact CG1-CD1 3.97Å; I372-L419 HydrophobicContact CG2-CD1 4.4Å; L375-L419 HydrophobicContact CD1-CD1 3.65Å; A379-L419 HydrophobicContact CB-CD1 4.03Å; A379-L419 HydrophobicContact CB-CD2 4.19Å; A379-L419 HydrophobicContact CB-CG 4.49Å; L387-L419 HydrophobicContact CD2-CD1 4.41Å; L387-L419 HydrophobicContact CD2-CD2 4.31Å; Q416-L419 PolarHBondContact O-N 2.87Å; L419-C421 VanDerWaalsContact C-N 3.31Å; L419-C421 PolarHBondContact O-N 2.94Å; L419-C422 WeakPolarHBondContact O-CB 3.32Å; L419-C422 PolarHBondContact O-N 3.02Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.34Å
420L96.6Very high93.4Very high2 Ų255 Ų551%0.0131%0.312CS..Hα-helixtrans-61.1-40.7177.4-67.2-174.3000112.1L402 V406 L407 Q416 T417 E418 L423 V424 V453L402-L420 HydrophobicContact CB-CD2 4.37Å; V406-L420 HydrophobicContact CB-CD1 4.03Å; V406-L420 HydrophobicContact CB-CD2 4.3Å; V406-L420 HydrophobicContact CG1-CD1 3.72Å; V406-L420 HydrophobicContact CG1-CD2 4.37Å; V406-L420 HydrophobicContact CG1-CG 4.13Å; L407-L420 HydrophobicContact CD2-CD1 3.71Å; L407-L420 HydrophobicContact CG-CD1 3.74Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 3.27Å; T417-L420 PolarHBondContact O-N 3.29Å; E418-L420 PolarHBondContact O-N 3.48Å; L420-L423 HydrophobicContact CD2-CD1 4.38Å; L420-L423 PolarHBondContact O-N 3.03Å; L420-V424 PolarHBondContact O-N 3.28Å; L420-V453 HydrophobicContact CB-CG1 4.47Å; L420-V453 HydrophobicContact CB-CG2 3.78Å; L420-V453 HydrophobicContact CD1-CG2 4.2Å
421C96.4Very high93.7Very high19 Ų1949.6 Ų49.613%0.12829%0.294CS..Hα-helixtrans-62.5-43175.9-70.20000111.2T417 E418 L419 L423 V424 K425 S456T417-C421 WeakPolarHBondContact O-CB 3.25Å; T417-C421 PolarHBondContact O-N 2.99Å; T417-C421 PolarHBondContact O-SG 3.35Å; E418-C421 PolarHBondContact O-N 3.49Å; L419-C421 VanDerWaalsContact C-N 3.31Å; L419-C421 PolarHBondContact O-N 2.94Å; C421-L423 PolarHBondContact O-N 3.39Å; C421-V424 WeakPolarHBondContact O-CG2 3.24Å; C421-K425 VanDerWaalsContact O-CB 3.3Å; C421-K425 WeakPolarHBondContact O-CB 3.44Å; C421-K425 VanDerWaalsContact O-CG 3.26Å; C421-K425 WeakPolarHBondContact O-CG 3.45Å; C421-K425 PolarHBondContact O-N 3.5Å; C421-K425 VanDerWaalsContact O-N 3.11Å; C421-S456 PolarHBondContact SG-OG 3.03Å
422C95.2Very high94.2Very high72 Ų7252 Ų5249%0.48629%0.289SS..Hα-helixtrans-59.9-43.5174.1-70.90000112E418 L419 K425 A426E418-C422 PolarHBondContact O-N 2.98Å; E418-C422 PolarHBondContact O-SG 3.11Å; L419-C422 WeakPolarHBondContact O-CB 3.32Å; L419-C422 PolarHBondContact O-N 3.02Å; C422-K425 PolarHBondContact O-N 3.19Å; C422-A426 PolarHBondContact O-N 3.22Å
423L95.9Very high94.3Very high8 Ų852 Ų524%0.04229%0.29CS..Hα-helixtrans-63.7-47179.2-67.8175000112.4L387 C391 V398 L402 L419 L420 C421 K425 A426L387-L423 HydrophobicContact CD1-CD2 4.24Å; L387-L423 HydrophobicContact CD2-CD1 4.39Å; L387-L423 HydrophobicContact CD2-CD2 4.32Å; L387-L423 HydrophobicContact CG-CD2 4.1Å; C391-L423 HydrophobicContact CB-CD2 3.86Å; C391-L423 WeakPolarHBondContact SG-CD2 3.48Å; V398-L423 HydrophobicContact CG1-CD1 4.27Å; V398-L423 HydrophobicContact CG1-CD2 3.98Å; L402-L423 HydrophobicContact CD1-CD1 3.87Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.34Å; L420-L423 HydrophobicContact CD2-CD1 4.38Å; L420-L423 PolarHBondContact O-N 3.03Å; C421-L423 PolarHBondContact O-N 3.39Å; L423-K425 PolarHBondContact O-N 3.04Å; L423-A426 VanDerWaalsContact O-CB 3.23Å; L423-A426 WeakPolarHBondContact O-CB 3.37Å; L423-A426 PolarHBondContact O-N 2.95Å; L423-A426 VanDerWaalsContact O-N 3.14Å
424V95.3Very high94.4Very high1 Ų152.1 Ų52.11%0.00629%0.287CS..Hα-helixtrans-70.3-17.9178.9-58.90000112.9L403 L420 C421 V453 L457 R460L403-V424 HydrophobicContact CD1-CG1 4.05Å; L420-V424 PolarHBondContact O-N 3.28Å; C421-V424 WeakPolarHBondContact O-CG2 3.24Å; V424-V453 HydrophobicContact CG1-CG1 4.08Å; V424-V453 HydrophobicContact CG2-CG1 4.34Å; V424-L457 HydrophobicContact CB-CB 4.44Å; V424-L457 HydrophobicContact CB-CD1 4.38Å; V424-L457 HydrophobicContact CG2-CB 4.4Å; V424-R460 VanDerWaalsContact O-CD 3.31Å; V424-R460 WeakPolarHBondContact O-CD 3.5Å; V424-R460 PolarHBondContact O-NH1 3.34Å
425K94.7Very high94.4Very high90 Ų9048.4 Ų48.439%0.39126%0.262SS..Hα-helixtrans-87.6-6.5173.8-75.4174.5164.8169.10114C421 C422 L423 E427 S456 E459 R460C421-K425 VanDerWaalsContact O-CB 3.3Å; C421-K425 WeakPolarHBondContact O-CB 3.44Å; C421-K425 VanDerWaalsContact O-CG 3.26Å; C421-K425 WeakPolarHBondContact O-CG 3.45Å; C421-K425 PolarHBondContact O-N 3.5Å; C421-K425 VanDerWaalsContact O-N 3.11Å; C422-K425 PolarHBondContact O-N 3.19Å; L423-K425 PolarHBondContact O-N 3.04Å; K425-E427 PolarHBondContact O-N 2.84Å; K425-S456 VanDerWaalsContact CE-CB 3.46Å; K425-S456 WeakPolarHBondContact CE-OG 3.46Å; K425-S456 PolarHBondContact NZ-OG 3.48Å; K425-S456 VanDerWaalsContact NZ-OG 3.16Å; K425-E459 WeakPolarHBondContact CE-OE2 3.28Å; K425-E459 IonicContact NZ-OE2 3.38Å; K425-E459 PolarHBondContact NZ-OE2 2.89Å; K425-R460 PolarHBondContact O-NH1 3.44Å
426A93Very high94.3Very high22 Ų2251.5 Ų51.518%0.18228%0.276CS..  trans-57.9128-178.900000112.8T395 C422 L423 S428 L429 R460T395-A426 HydrophobicContact CG2-CB 4.04Å; C422-A426 PolarHBondContact O-N 3.22Å; L423-A426 VanDerWaalsContact O-CB 3.23Å; L423-A426 WeakPolarHBondContact O-CB 3.37Å; L423-A426 PolarHBondContact O-N 2.95Å; L423-A426 VanDerWaalsContact O-N 3.14Å; A426-S428 PolarHBondContact O-N 3.18Å; A426-L429 VanDerWaalsContact O-CB 3.3Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 PolarHBondContact O-N 3.04Å; A426-R460 PolarHBondContact O-NH1 3.16Å; A426-R460 PolarHBondContact O-NH2 3.15Å; A426-R460 VanDerWaalsContact O-NH2 3.12Å
427E90.8Very high94.1Very high190 Ų19051 Ų5189%0.88827%0.274SS*.THydrogen-bonded Turntrans-60.4-31.8-177.7-66-170.4168.300112.9K425 L429K425-E427 PolarHBondContact O-N 2.84Å; E427-L429 PolarHBondContact O-N 2.99Å
428S92.4Very high94.1Very high51 Ų5150.6 Ų50.636%0.35727%0.272SS..THydrogen-bonded Turntrans-70.6-2.6177.257.80000114.3T395 A426 E430T395-S428 VanDerWaalsContact CG2-OG 3.31Å; T395-S428 WeakPolarHBondContact CG2-OG 3.28Å; T395-S428 VanDerWaalsContact OG1-CB 3.27Å; T395-S428 WeakPolarHBondContact OG1-CB 3.35Å; T395-S428 PolarHBondContact OG1-O 3.03Å; T395-S428 PolarHBondContact OG1-OG 3.37Å; A426-S428 PolarHBondContact O-N 3.18Å; S428-E430 PolarHBondContact O-N 3.13Å
429L93.7Very high94Very high2 Ų246.1 Ų46.11%0.0125%0.254CS..SBendtrans-82.4102.3177.1-171.265.3000109.6T395 A426 E427 A433 Q434T395-L429 HydrophobicContact CG2-CB 3.79Å; T395-L429 HydrophobicContact CG2-CD1 3.96Å; T395-L429 HydrophobicContact CG2-CG 4.47Å; A426-L429 VanDerWaalsContact O-CB 3.3Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 PolarHBondContact O-N 3.04Å; E427-L429 PolarHBondContact O-N 2.99Å; L429-A433 HydrophobicContact CD1-CB 3.71Å; L429-A433 HydrophobicContact CG-CB 4.37Å; L429-Q434 HydrophobicContact CD2-CG 3.8Å; L429-Q434 HydrophobicContact CG-CG 3.82Å; L429-Q434 PolarHBondContact O-NE2 2.88Å
430E92.4Very high93.8Very high138 Ų13847.1 Ų47.165%0.64526%0.258SS*.  trans-61151.6-177.9-61.9-175.5149.200112.9S428 D432 A433 Q434S428-E430 PolarHBondContact O-N 3.13Å; E430-D432 VanDerWaalsContact C-N 3.33Å; E430-D432 PolarHBondContact O-N 2.84Å; E430-A433 WeakPolarHBondContact O-CA 3.46Å; E430-A433 WeakPolarHBondContact O-CB 3.29Å; E430-A433 PolarHBondContact O-N 3.45Å; E430-Q434 WeakPolarHBondContact O-CG 3.48Å; E430-Q434 PolarHBondContact O-N 2.87Å
431P93.2Very high93.7Very high87 Ų8747 Ų4757%0.56526%0.257SS*.Hα-helixtrans-53.9-44.2-178.8-27.335.1000114A433 Q434 V435P431-A433 VanDerWaalsContact C-N 3.28Å; P431-A433 PolarHBondContact O-N 3.42Å; P431-Q434 WeakPolarHBondContact O-CB 3.4Å; P431-Q434 PolarHBondContact O-N 3.45Å; P431-Q434 VanDerWaalsContact O-N 3.11Å; P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.38Å
432D92.1Very high93.6Very high127 Ų12746.5 Ų46.568%0.67925%0.254SS*.Hα-helixtrans-60.8-39177.9-73.7-22.7000111.8E430 V435 L436E430-D432 VanDerWaalsContact C-N 3.33Å; E430-D432 PolarHBondContact O-N 2.84Å; D432-V435 PolarHBondContact O-N 3.01Å; D432-L436 WeakPolarHBondContact O-CG 3.31Å; D432-L436 PolarHBondContact O-N 3.19Å; D432-L436 VanDerWaalsContact O-N 3.16Å
433A92.7Very high93.5Very high9 Ų951.1 Ų51.17%0.07427%0.268CS..Hα-helixtrans-66.5-41.2175.400000111.2Y396 L429 E430 P431 V435 L436 M437Y396-A433 HydrophobicContact CD2-CB 3.65Å; Y396-A433 HydrophobicContact CE2-CB 4.36Å; Y396-A433 HydrophobicContact CG-CB 4.04Å; L429-A433 HydrophobicContact CD1-CB 3.71Å; L429-A433 HydrophobicContact CG-CB 4.37Å; E430-A433 WeakPolarHBondContact O-CA 3.46Å; E430-A433 WeakPolarHBondContact O-CB 3.29Å; E430-A433 PolarHBondContact O-N 3.45Å; P431-A433 VanDerWaalsContact C-N 3.28Å; P431-A433 PolarHBondContact O-N 3.42Å; A433-V435 VanDerWaalsContact C-N 3.29Å; A433-V435 PolarHBondContact O-N 3.14Å; A433-L436 WeakPolarHBondContact O-CB 3.3Å; A433-L436 PolarHBondContact O-N 3.27Å; A433-L436 VanDerWaalsContact O-N 3.14Å; A433-M437 VanDerWaalsContact O-CG 3.28Å; A433-M437 WeakPolarHBondContact O-CG 3.41Å; A433-M437 PolarHBondContact O-N 3.36Å
434Q94.3Very high93.3Very high17 Ų1751 Ų518%0.07927%0.268CS..Hα-helixtrans-57.7-41.6174.8-63.1170.826.500111.7L429 E430 P431 L436 M437 L438 L457 V462L429-Q434 HydrophobicContact CD2-CG 3.8Å; L429-Q434 HydrophobicContact CG-CG 3.82Å; L429-Q434 PolarHBondContact O-NE2 2.88Å; E430-Q434 WeakPolarHBondContact O-CG 3.48Å; E430-Q434 PolarHBondContact O-N 2.87Å; P431-Q434 WeakPolarHBondContact O-CB 3.4Å; P431-Q434 PolarHBondContact O-N 3.45Å; P431-Q434 VanDerWaalsContact O-N 3.11Å; Q434-L436 VanDerWaalsContact C-N 3.35Å; Q434-L436 PolarHBondContact O-N 3.26Å; Q434-M437 PolarHBondContact O-N 3.24Å; Q434-L438 WeakPolarHBondContact O-CB 3.16Å; Q434-L438 PolarHBondContact O-N 3.26Å; Q434-L457 HydrophobicContact CB-CD1 4.11Å; Q434-L457 HydrophobicContact CG-CD1 4.25Å; Q434-V462 HydrophobicContact CB-CG1 3.9Å; Q434-V462 HydrophobicContact CB-CG2 3.91Å
435V93.7Very high93.1Very high31 Ų3155.6 Ų55.619%0.18830%0.297CS..Hα-helixtrans-65.3-37.4177.3176.50000112.1P431 D432 A433 G439 V462 E463 K468P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.38Å; D432-V435 PolarHBondContact O-N 3.01Å; A433-V435 VanDerWaalsContact C-N 3.29Å; A433-V435 PolarHBondContact O-N 3.14Å; V435-G439 PolarHBondContact O-N 3.36Å; V435-G439 VanDerWaalsContact O-N 3.14Å; V435-V462 HydrophobicContact CG2-CG1 3.81Å; V435-E463 WeakPolarHBondContact CG2-O 3.38Å; V435-K468 PolarHBondContact O-NZ 3.34Å
436L92.8Very high93Very high76 Ų7651.8 Ų51.840%0.39828%0.28SS..Hα-helixtrans-66.9-48.9175.1-67.9173.1000110.9Y396 D432 A433 Q434 L438 G439 Q440Y396-L436 HydrophobicContact CE1-CD1 4.45Å; Y396-L436 HydrophobicContact CE2-CB 4.02Å; Y396-L436 HydrophobicContact CE2-CD1 4.18Å; Y396-L436 WeakPolarHBondContact OH-CD1 3.27Å; D432-L436 WeakPolarHBondContact O-CG 3.31Å; D432-L436 PolarHBondContact O-N 3.19Å; D432-L436 VanDerWaalsContact O-N 3.16Å; A433-L436 WeakPolarHBondContact O-CB 3.3Å; A433-L436 PolarHBondContact O-N 3.27Å; A433-L436 VanDerWaalsContact O-N 3.14Å; Q434-L436 VanDerWaalsContact C-N 3.35Å; Q434-L436 PolarHBondContact O-N 3.26Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 3.11Å; L436-G439 WeakPolarHBondContact O-CA 3.46Å; L436-G439 PolarHBondContact O-N 2.8Å; L436-Q440 PolarHBondContact O-N 3.16Å; L436-Q440 VanDerWaalsContact O-N 3.12Å
437M93.4Very high92.9Very high0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-58-44176.9-65.9-53.4-54.200111.5Y396 C399 R400 L403 A433 Q434 G439 Q440 I441 L457Y396-M437 HydrophobicContact CD2-CG 4.45Å; Y396-M437 HydrophobicContact CD2-SD 4.06Å; Y396-M437 HydrophobicContact CE2-CG 4.41Å; Y396-M437 HydrophobicContact CE2-SD 3.88Å; C399-M437 HydrophobicContact CB-CE 3.74Å; C399-M437 HydrophobicContact CB-CG 4.4Å; C399-M437 HydrophobicContact CB-SD 3.72Å; R400-M437 HydrophobicContact CB-SD 4.44Å; L403-M437 HydrophobicContact CB-CE 3.65Å; L403-M437 HydrophobicContact CD1-CE 4.18Å; L403-M437 HydrophobicContact CD2-CE 3.26Å; L403-M437 HydrophobicContact CG-CE 3.86Å; A433-M437 VanDerWaalsContact O-CG 3.28Å; A433-M437 WeakPolarHBondContact O-CG 3.41Å; A433-M437 PolarHBondContact O-N 3.36Å; Q434-M437 PolarHBondContact O-N 3.24Å; M437-G439 VanDerWaalsContact C-N 3.29Å; M437-G439 PolarHBondContact O-N 3.11Å; M437-Q440 PolarHBondContact O-N 3.49Å; M437-I441 WeakPolarHBondContact O-CG1 3.09Å; M437-I441 PolarHBondContact O-N 2.76Å; M437-L457 HydrophobicContact CB-CD2 4.37Å
438L95.3Very high92.9Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-58.1-43.7175.3176.764.6000111.5Q434 L436 Q440 I441 L442 L454 L457 L458 V462 M464Q434-L438 WeakPolarHBondContact O-CB 3.16Å; Q434-L438 PolarHBondContact O-N 3.26Å; L436-L438 VanDerWaalsContact C-N 3.31Å; L436-L438 PolarHBondContact O-N 3.11Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.34Å; L438-I441 PolarHBondContact O-N 3.41Å; L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.05Å; L438-L442 HydrophobicContact CG-CD1 4.08Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.49Å; L438-L454 HydrophobicContact CD1-CD1 3.44Å; L438-L454 VanDerWaalsContact CD1-CD1 3.44Å; L438-L457 HydrophobicContact CB-CD2 3.88Å; L438-L457 HydrophobicContact CD1-CD2 4.35Å; L438-L458 HydrophobicContact CD1-CD2 4.07Å; L438-L458 HydrophobicContact CD2-CD2 4.48Å; L438-V462 HydrophobicContact CD2-CG1 4.15Å; L438-M464 HydrophobicContact CD2-CG 3.33Å; L438-M464 HydrophobicContact CD2-SD 3.59Å; L438-M464 VanDerWaalsContact CD2-SD 3.59Å
439G93.4Very high93Very high12 Ų1248.9 Ų48.912%0.12426%0.256CS..Hα-helixtrans-56.6-45.4176.400000112.2V435 L436 M437 L442 E443V435-G439 PolarHBondContact O-N 3.36Å; V435-G439 VanDerWaalsContact O-N 3.14Å; L436-G439 WeakPolarHBondContact O-CA 3.46Å; L436-G439 PolarHBondContact O-N 2.8Å; M437-G439 VanDerWaalsContact C-N 3.29Å; M437-G439 PolarHBondContact O-N 3.11Å; G439-L442 PolarHBondContact O-N 3.44Å; G439-E443 WeakPolarHBondContact O-CG 3.04Å; G439-E443 PolarHBondContact O-N 3.15Å
440Q92.1Very high93.1Very high35 Ų3548.9 Ų48.916%0.16426%0.256CS..Hα-helixtrans-63.7-48.6178-63.8-179.1-54.500111.8L436 M437 L438 L442 E443 L444L436-Q440 PolarHBondContact O-N 3.16Å; L436-Q440 VanDerWaalsContact O-N 3.12Å; M437-Q440 PolarHBondContact O-N 3.49Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.34Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.46Å; Q440-E443 PolarHBondContact O-N 3.39Å; Q440-L444 PolarHBondContact O-N 3.3Å
441I94.6Very high93.2Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-58.8-39.3178.7-63.6166.4000111.4L403 M437 L438 E443 L444 I450 V453 L454 L457L403-I441 HydrophobicContact CD1-CD1 4.38Å; L403-I441 HydrophobicContact CD1-CG1 4.49Å; L403-I441 HydrophobicContact CD2-CD1 3.82Å; L403-I441 HydrophobicContact CD2-CG1 3.26Å; L403-I441 HydrophobicContact CG-CG1 4.3Å; M437-I441 WeakPolarHBondContact O-CG1 3.09Å; M437-I441 PolarHBondContact O-N 2.76Å; L438-I441 PolarHBondContact O-N 3.41Å; I441-E443 PolarHBondContact O-N 3.2Å; I441-L444 WeakPolarHBondContact O-CB 3.41Å; I441-L444 PolarHBondContact O-N 3.1Å; I441-I450 HydrophobicContact CG2-CG2 3.8Å; I441-V453 HydrophobicContact CD1-CG1 4.25Å; I441-L454 HydrophobicContact CG2-CB 4.1Å; I441-L454 HydrophobicContact CG2-CD1 4.03Å; I441-L454 HydrophobicContact CG2-CG 4.45Å; I441-L457 HydrophobicContact CD1-CD2 3.71Å
442L94.6Very high93.4Very high9 Ų941.4 Ų41.45%0.04722%0.215CC..Hα-helixtrans-68.2-19.3178.8-70.6-179.1000113.1L438 G439 Q440 W446 L454 K468 V471 L472 K475L438-L442 HydrophobicContact CD1-CD1 4.17Å; L438-L442 HydrophobicContact CD1-CD2 4.46Å; L438-L442 HydrophobicContact CD1-CG 4.05Å; L438-L442 HydrophobicContact CG-CD1 4.08Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.33Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.49Å; G439-L442 PolarHBondContact O-N 3.44Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.46Å; L442-W446 HydrophobicContact CD2-CZ2 3.82Å; L442-L454 HydrophobicContact CD2-CD2 4.42Å; L442-K468 HydrophobicContact CD1-CB 4.27Å; L442-V471 HydrophobicContact CB-CG1 4.49Å; L442-L472 HydrophobicContact CD2-CB 4.11Å; L442-L472 HydrophobicContact CD2-CD1 3.82Å; L442-K475 VanDerWaalsContact O-CE 3.28Å; L442-K475 WeakPolarHBondContact O-CE 3.31Å; L442-K475 PolarHBondContact O-NZ 3.5Å
443E93.5Very high93.6Very high168 Ų16835.3 Ų35.379%0.78518%0.183SC*.Hα-helixtrans-83.2-22.1175.7-70.7176177.300112.2G439 Q440 I441G439-E443 WeakPolarHBondContact O-CG 3.04Å; G439-E443 PolarHBondContact O-N 3.15Å; Q440-E443 PolarHBondContact O-N 3.39Å; I441-E443 PolarHBondContact O-N 3.2Å
444L92.1Very high93.8Very high7 Ų734.9 Ų34.94%0.03718%0.179CC..SBendtrans-69.2155.5-177.3-62.1179000114.3L407 Q408 Q440 I441 W446 I450 K475L407-L444 HydrophobicContact CB-CD1 3.9Å; L407-L444 HydrophobicContact CD1-CD1 3.65Å; L407-L444 HydrophobicContact CG-CD1 4.44Å; Q408-L444 HydrophobicContact CG-CD2 3.9Å; Q440-L444 PolarHBondContact O-N 3.3Å; I441-L444 WeakPolarHBondContact O-CB 3.41Å; I441-L444 PolarHBondContact O-N 3.1Å; L444-W446 VanDerWaalsContact O-CD1 3.26Å; L444-W446 PolarHBondContact O-N 3.37Å; L444-I450 HydrophobicContact CB-CD1 3.63Å; L444-I450 HydrophobicContact CD1-CD1 4.2Å; L444-K475 PolarHBondContact O-NZ 2.88Å
445P91.3Very high94Very high96 Ų9635.1 Ų35.162%0.62318%0.18SC*.  trans-71.9115.8171.828.6-33.4000111.2K447 I450P445-K447 PolarHBondContact O-N 3.36Å; P445-I450 WeakPolarHBondContact O-CD1 3.4Å
446W91.6Very high94.1Very high11 Ų1133.9 Ų33.94%0.04217%0.173CC..  trans-70.4119.2-173.4-7820.1000113.8L442 L444 I450 F451 L454 L472 K475 L476 K479 L492L442-W446 HydrophobicContact CD2-CZ2 3.82Å; L444-W446 VanDerWaalsContact O-CD1 3.26Å; L444-W446 PolarHBondContact O-N 3.37Å; W446-I450 HydrophobicContact CG-CG2 4.33Å; W446-F451 HydrophobicContact CB-CE1 4.2Å; W446-F451 HydrophobicContact CD2-CE1 4.21Å; W446-F451 HydrophobicContact CE3-CD1 4.26Å; W446-F451 AromaticContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CZ3-CE1 4.25Å; W446-L454 HydrophobicContact CH2-CD2 3.68Å; W446-L454 HydrophobicContact CZ2-CD2 3.35Å; W446-L472 HydrophobicContact CH2-CD1 3.7Å; W446-L472 HydrophobicContact CZ2-CD1 4Å; W446-K475 HydrophobicContact CD2-CB 3.97Å; W446-K475 HydrophobicContact CD2-CD 3.99Å; W446-K475 HydrophobicContact CE3-CB 3.79Å; W446-K475 HydrophobicContact CG-CD 4.23Å; W446-K475 HydrophobicContact CH2-CB 3.78Å; W446-K475 HydrophobicContact CZ2-CB 3.9Å; W446-K475 HydrophobicContact CZ2-CD 4.07Å; W446-K475 HydrophobicContact CZ3-CB 3.72Å; W446-L476 HydrophobicContact CH2-CD2 3.98Å; W446-L476 HydrophobicContact CH2-CG 3.87Å; W446-L476 HydrophobicContact CZ3-CB 4.47Å; W446-L476 HydrophobicContact CZ3-CD2 3.65Å; W446-L476 HydrophobicContact CZ3-CG 3.79Å; W446-K479 HydrophobicContact CB-CD 4.42Å; W446-K479 HydrophobicContact CB-CG 4.18Å; W446-K479 HydrophobicContact CE3-CG 4.1Å; W446-K479 WeakPolarHBondContact O-CE 3.47Å; W446-K479 PolarHBondContact O-NZ 2.95Å; W446-L492 HydrophobicContact CH2-CD2 4.43Å; W446-L492 HydrophobicContact CZ3-CD2 4.41Å
447K90.8Very high94.3Very high63 Ų6330.3 Ų30.327%0.27415%0.154SC..  trans-133177.4172.759.2175.7-166.9179.40110L407 A409 T412 P445 E449 I450 F451L407-K447 WeakPolarHBondContact O-CE 3.49Å; L407-K447 PolarHBondContact O-NZ 3.29Å; A409-K447 PolarHBondContact O-NZ 3.21Å; T412-K447 PolarHBondContact OG1-NZ 2.7Å; P445-K447 PolarHBondContact O-N 3.36Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 WeakPolarHBondContact CD-OE2 3.5Å; K447-E449 WeakPolarHBondContact CE-OE2 3.47Å; K447-E449 WeakPolarHBondContact CG-OE2 3.43Å; K447-E449 IonicContact NZ-OE2 2.59Å; K447-E449 PolarHBondContact O-N 3.39Å; K447-I450 HydrophobicContact CG-CD1 4.39Å; K447-I450 HydrophobicContact CG-CG1 4.07Å; K447-I450 WeakPolarHBondContact O-CB 3.34Å; K447-I450 PolarHBondContact O-N 3.33Å; K447-I450 VanDerWaalsContact O-N 3.09Å; K447-F451 PolarHBondContact O-N 3.13Å
448E92Very high94.5Very high100 Ų10030.3 Ų30.347%0.46715%0.154SC..Hα-helixtrans-56.9-41.7-170.5-174.5140-138.200113.4I450 F451 S486 A488E448-I450 VanDerWaalsContact C-N 3.26Å; E448-I450 PolarHBondContact O-N 3.09Å; E448-F451 WeakPolarHBondContact O-CB 3.26Å; E448-F451 PolarHBondContact O-N 2.82Å; E448-F451 VanDerWaalsContact O-N 3.1Å; E448-S486 PolarHBondContact OE1-OG 3.41Å; E448-A488 HydrophobicContact CG-CB 4.3Å
449E94.3Very high94.5Very high39 Ų3933.7 Ų33.718%0.18217%0.17CC..Hα-helixtrans-62.3-34.8-179.6-61.773-142.800112.1L407 T412 T417 K447 F451 L452 V453L407-E449 HydrophobicContact CD2-CB 4.1Å; T412-E449 HydrophobicContact CG2-CB 4.46Å; T412-E449 HydrophobicContact CG2-CG 4.02Å; T417-E449 HydrophobicContact CG2-CB 3.43Å; T417-E449 VanDerWaalsContact CG2-CB 3.43Å; T417-E449 HydrophobicContact CG2-CG 3.47Å; T417-E449 VanDerWaalsContact CG2-CG 3.47Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 WeakPolarHBondContact CD-OE2 3.5Å; K447-E449 WeakPolarHBondContact CE-OE2 3.47Å; K447-E449 WeakPolarHBondContact CG-OE2 3.43Å; K447-E449 IonicContact NZ-OE2 2.59Å; K447-E449 PolarHBondContact O-N 3.39Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.44Å; E449-L452 PolarHBondContact O-N 2.97Å; E449-V453 PolarHBondContact O-N 3.22Å
450I94.9Very high94.5Very high1 Ų136.5 Ų36.51%0.00518%0.177CC..Hα-helixtrans-68.4-35.3179.2-60.5-165.4000110.6L407 I441 L444 P445 W446 K447 E448 L452 V453 L454L407-I450 HydrophobicContact CD1-CG1 4.32Å; L407-I450 HydrophobicContact CD2-CG1 4.17Å; I441-I450 HydrophobicContact CG2-CG2 3.8Å; L444-I450 HydrophobicContact CB-CD1 3.63Å; L444-I450 HydrophobicContact CD1-CD1 4.2Å; P445-I450 WeakPolarHBondContact O-CD1 3.4Å; W446-I450 HydrophobicContact CG-CG2 4.33Å; K447-I450 HydrophobicContact CG-CD1 4.39Å; K447-I450 HydrophobicContact CG-CG1 4.07Å; K447-I450 WeakPolarHBondContact O-CB 3.34Å; K447-I450 PolarHBondContact O-N 3.33Å; K447-I450 VanDerWaalsContact O-N 3.09Å; E448-I450 VanDerWaalsContact C-N 3.26Å; E448-I450 PolarHBondContact O-N 3.09Å; I450-L452 VanDerWaalsContact C-N 3.31Å; I450-L452 PolarHBondContact O-N 3.35Å; I450-V453 PolarHBondContact O-N 3.02Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 PolarHBondContact O-N 2.97Å
451F95.4Very high94.5Very high10 Ų1040.8 Ų40.84%0.04420%0.197CC..Hα-helixtrans-62-41.5178.3-55-40.1000111.5W446 K447 E448 E449 Q455 K479 A483 A488 Y489 L492W446-F451 HydrophobicContact CB-CE1 4.2Å; W446-F451 HydrophobicContact CD2-CE1 4.21Å; W446-F451 HydrophobicContact CE3-CD1 4.26Å; W446-F451 AromaticContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CE3-CE1 3.62Å; W446-F451 HydrophobicContact CZ3-CE1 4.25Å; K447-F451 PolarHBondContact O-N 3.13Å; E448-F451 WeakPolarHBondContact O-CB 3.26Å; E448-F451 PolarHBondContact O-N 2.82Å; E448-F451 VanDerWaalsContact O-N 3.1Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.44Å; F451-Q455 WeakPolarHBondContact O-CB 3.4Å; F451-Q455 PolarHBondContact O-N 2.96Å; F451-K479 HydrophobicContact CZ-CB 4.46Å; F451-A483 HydrophobicContact CE2-CB 4.42Å; F451-A488 HydrophobicContact CB-CB 3.85Å; F451-A488 HydrophobicContact CD2-CB 4.4Å; F451-Y489 HydrophobicContact CD1-CD2 4.34Å; F451-Y489 AromaticContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE2-CD2 4.3Å; F451-Y489 AromaticContact CZ-CD2 3.98Å; F451-Y489 HydrophobicContact CZ-CD2 3.98Å; F451-L492 HydrophobicContact CB-CD2 4.19Å; F451-L492 HydrophobicContact CD1-CD2 3.77Å; F451-L492 HydrophobicContact CG-CD2 4.36Å
452L96.6Very high94.5Very high58 Ų5840.9 Ų40.930%0.30420%0.198SC..Hα-helixtrans-64.5-48.4179.2-64.6173.5000112E449 I450 Q455 S456 A488E449-L452 PolarHBondContact O-N 2.97Å; I450-L452 VanDerWaalsContact C-N 3.31Å; I450-L452 PolarHBondContact O-N 3.35Å; L452-Q455 PolarHBondContact O-N 3.39Å; L452-S456 WeakPolarHBondContact O-CB 3.41Å; L452-S456 PolarHBondContact O-N 3.44Å; L452-S456 PolarHBondContact O-OG 2.88Å; L452-S456 VanDerWaalsContact O-OG 3.11Å; L452-A488 HydrophobicContact CD2-CB 3.53Å; L452-A488 HydrophobicContact CG-CB 3.83Å
453V97.1Very high94.3Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-69.8-42.4-177.9179.60000111.1L403 L407 L420 V424 I441 E449 I450 S456 L457L403-V453 HydrophobicContact CD1-CG1 3.68Å; L407-V453 HydrophobicContact CD2-CG2 4.17Å; L420-V453 HydrophobicContact CB-CG1 4.47Å; L420-V453 HydrophobicContact CB-CG2 3.78Å; L420-V453 HydrophobicContact CD1-CG2 4.2Å; V424-V453 HydrophobicContact CG1-CG1 4.08Å; V424-V453 HydrophobicContact CG2-CG1 4.34Å; I441-V453 HydrophobicContact CD1-CG1 4.25Å; E449-V453 PolarHBondContact O-N 3.22Å; I450-V453 PolarHBondContact O-N 3.02Å; V453-S456 PolarHBondContact O-N 3.48Å; V453-L457 PolarHBondContact O-N 2.97Å
454L96.9Very high94.2Very high0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-64.1-42.2175.9-177.458000111.4L438 I441 L442 W446 I450 L457 L458 L472 L492L438-L454 HydrophobicContact CD1-CD1 3.44Å; L438-L454 VanDerWaalsContact CD1-CD1 3.44Å; I441-L454 HydrophobicContact CG2-CB 4.1Å; I441-L454 HydrophobicContact CG2-CD1 4.03Å; I441-L454 HydrophobicContact CG2-CG 4.45Å; L442-L454 HydrophobicContact CD2-CD2 4.42Å; W446-L454 HydrophobicContact CH2-CD2 3.68Å; W446-L454 HydrophobicContact CZ2-CD2 3.35Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 PolarHBondContact O-N 2.97Å; L454-L457 PolarHBondContact O-N 3.35Å; L454-L458 HydrophobicContact CD1-CD1 4.07Å; L454-L458 HydrophobicContact CD1-CG 4.02Å; L454-L458 HydrophobicContact CG-CD1 3.99Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 WeakPolarHBondContact O-CB 3.16Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.75Å; L454-L472 HydrophobicContact CD2-CD1 3.8Å; L454-L492 HydrophobicContact CB-CD1 4.4Å; L454-L492 HydrophobicContact CD2-CD1 4.21Å; L454-L492 HydrophobicContact CD2-CD2 3.98Å; L454-L492 HydrophobicContact CG-CD1 3.97Å; L454-L492 HydrophobicContact CG-CD2 4.49Å
455Q97.1Very high94.2Very high22 Ų2244 Ų4410%0.10322%0.216CC..Hα-helixtrans-61.8-46.2176.5-172.6-84.6-21.500110.9F451 L452 L457 L458 E459 K491 L492 T495F451-Q455 WeakPolarHBondContact O-CB 3.4Å; F451-Q455 PolarHBondContact O-N 2.96Å; L452-Q455 PolarHBondContact O-N 3.39Å; Q455-L457 VanDerWaalsContact C-N 3.29Å; Q455-L457 PolarHBondContact O-N 3.46Å; Q455-L458 PolarHBondContact O-N 3.13Å; Q455-E459 VanDerWaalsContact NE2-CG 3.35Å; Q455-E459 PolarHBondContact NE2-OE1 2.95Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.32Å; Q455-K491 HydrophobicContact CG-CB 4.42Å; Q455-L492 HydrophobicContact CB-CB 4.14Å; Q455-L492 HydrophobicContact CB-CD1 3.99Å; Q455-L492 HydrophobicContact CG-CB 4.38Å; Q455-T495 PolarHBondContact NE2-OG1 3.34Å; Q455-T495 VanDerWaalsContact NE2-OG1 3.14Å
456S97.1Very high94.2Very high5 Ų544.1 Ų44.14%0.03522%0.217CC..Hα-helixtrans-58.6-38.2176.1-73.40000113.1C421 K425 L452 V453C421-S456 PolarHBondContact SG-OG 3.03Å; K425-S456 VanDerWaalsContact CE-CB 3.46Å; K425-S456 WeakPolarHBondContact CE-OG 3.46Å; K425-S456 PolarHBondContact NZ-OG 3.48Å; K425-S456 VanDerWaalsContact NZ-OG 3.16Å; L452-S456 WeakPolarHBondContact O-CB 3.41Å; L452-S456 PolarHBondContact O-N 3.44Å; L452-S456 PolarHBondContact O-OG 2.88Å; L452-S456 VanDerWaalsContact O-OG 3.11Å; V453-S456 PolarHBondContact O-N 3.48Å
457L96.5Very high94.2Very high0 Ų049.6 Ų49.60%024%0.243CC..Hα-helixtrans-70.6-47.6175.1-178.660.7000111.3V424 Q434 M437 L438 I441 V453 L454 Q455 E459 R460 V462V424-L457 HydrophobicContact CB-CB 4.44Å; V424-L457 HydrophobicContact CB-CD1 4.38Å; V424-L457 HydrophobicContact CG2-CB 4.4Å; Q434-L457 HydrophobicContact CB-CD1 4.11Å; Q434-L457 HydrophobicContact CG-CD1 4.25Å; M437-L457 HydrophobicContact CB-CD2 4.37Å; L438-L457 HydrophobicContact CB-CD2 3.88Å; L438-L457 HydrophobicContact CD1-CD2 4.35Å; I441-L457 HydrophobicContact CD1-CD2 3.71Å; V453-L457 PolarHBondContact O-N 2.97Å; L454-L457 PolarHBondContact O-N 3.35Å; Q455-L457 VanDerWaalsContact C-N 3.29Å; Q455-L457 PolarHBondContact O-N 3.46Å; L457-E459 VanDerWaalsContact C-N 3.28Å; L457-E459 PolarHBondContact O-N 3.09Å; L457-R460 VanDerWaalsContact O-CB 3.27Å; L457-R460 WeakPolarHBondContact O-CB 3.1Å; L457-R460 PolarHBondContact O-N 3.47Å; L457-R460 VanDerWaalsContact O-N 3.09Å; L457-V462 HydrophobicContact CD1-CG2 3.78Å; L457-V462 HydrophobicContact CG-CG2 3.84Å; L457-V462 WeakPolarHBondContact O-CG2 3.32Å
458L96.6Very high94.3Very high0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-68.2-24.8-177.6-69.4-178.1000113.6L438 L454 Q455 R460 Q461 M464 L472 L492 T495 V496 Y500L438-L458 HydrophobicContact CD1-CD2 4.07Å; L438-L458 HydrophobicContact CD2-CD2 4.48Å; L454-L458 HydrophobicContact CD1-CD1 4.07Å; L454-L458 HydrophobicContact CD1-CG 4.02Å; L454-L458 HydrophobicContact CG-CD1 3.99Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 WeakPolarHBondContact O-CB 3.16Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.75Å; Q455-L458 PolarHBondContact O-N 3.13Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-R460 VanDerWaalsContact O-N 3.17Å; L458-Q461 PolarHBondContact O-N 3.36Å; L458-M464 HydrophobicContact CD2-CE 3.75Å; L458-M464 HydrophobicContact CD2-SD 4.27Å; L458-L472 HydrophobicContact CD1-CD1 4.32Å; L458-L472 HydrophobicContact CD1-CD2 4.12Å; L458-L492 HydrophobicContact CD1-CD1 3.82Å; L458-T495 HydrophobicContact CB-CG2 4.24Å; L458-V496 HydrophobicContact CD1-CG2 3.84Å; L458-Y500 HydrophobicContact CB-CE2 4.04Å; L458-Y500 HydrophobicContact CD2-CE2 4.18Å; L458-Y500 WeakPolarHBondContact CD2-OH 3.37Å; L458-Y500 PolarHBondContact O-OH 3.5Å
459E96.1Very high94.5Very high71 Ų7144.7 Ų44.733%0.33222%0.22SC..THydrogen-bonded Turntrans-54.1-30.1170.3-83-178.7153.700112.3K425 Q455 L457 Q461 T495 K499K425-E459 WeakPolarHBondContact CE-OE2 3.28Å; K425-E459 IonicContact NZ-OE2 3.38Å; K425-E459 PolarHBondContact NZ-OE2 2.89Å; Q455-E459 VanDerWaalsContact NE2-CG 3.35Å; Q455-E459 PolarHBondContact NE2-OE1 2.95Å; Q455-E459 WeakPolarHBondContact O-CG 3.41Å; Q455-E459 PolarHBondContact O-N 3.32Å; L457-E459 VanDerWaalsContact C-N 3.28Å; L457-E459 PolarHBondContact O-N 3.09Å; E459-Q461 PolarHBondContact O-N 3.46Å; E459-T495 HydrophobicContact CG-CG2 4.25Å; E459-K499 WeakPolarHBondContact O-CE 3.39Å; E459-K499 PolarHBondContact O-NZ 3.5Å
460R93.6Very high94.5Very high71 Ų7145.5 Ų45.527%0.26823%0.23SC..THydrogen-bonded Turntrans-76.5-1.9178.2-54.1-173.567.6158.22.6114.4V424 K425 A426 L457 L458V424-R460 VanDerWaalsContact O-CD 3.31Å; V424-R460 WeakPolarHBondContact O-CD 3.5Å; V424-R460 PolarHBondContact O-NH1 3.34Å; K425-R460 PolarHBondContact O-NH1 3.44Å; A426-R460 PolarHBondContact O-NH1 3.16Å; A426-R460 PolarHBondContact O-NH2 3.15Å; A426-R460 VanDerWaalsContact O-NH2 3.12Å; L457-R460 VanDerWaalsContact O-CB 3.27Å; L457-R460 WeakPolarHBondContact O-CB 3.1Å; L457-R460 PolarHBondContact O-N 3.47Å; L457-R460 VanDerWaalsContact O-N 3.09Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-R460 VanDerWaalsContact O-N 3.17Å
461Q92.2Very high94.5Very high126 Ų12648.1 Ų48.159%0.58925%0.246SC*.  trans59.455-178-63.1175.587.500112.5L458 E459 E463 K499 Y500L458-Q461 PolarHBondContact O-N 3.36Å; E459-Q461 PolarHBondContact O-N 3.46Å; Q461-E463 PolarHBondContact O-N 2.95Å; Q461-K499 HydrophobicContact CG-CB 4.44Å; Q461-K499 HydrophobicContact CG-CD 4.06Å; Q461-K499 HydrophobicContact CG-CG 4.48Å; Q461-Y500 VanDerWaalsContact CA-OH 3.31Å; Q461-Y500 WeakPolarHBondContact CA-OH 3.31Å
462V93.6Very high94.5Very high2 Ų247.7 Ų47.71%0.01224%0.244CC..  trans-64.8130.7177.4-174.90000110.1Q434 V435 L438 L457 M464 Y500Q434-V462 HydrophobicContact CB-CG1 3.9Å; Q434-V462 HydrophobicContact CB-CG2 3.91Å; V435-V462 HydrophobicContact CG2-CG1 3.81Å; L438-V462 HydrophobicContact CD2-CG1 4.15Å; L457-V462 HydrophobicContact CD1-CG2 3.78Å; L457-V462 HydrophobicContact CG-CG2 3.84Å; L457-V462 WeakPolarHBondContact O-CG2 3.32Å; V462-M464 PolarHBondContact O-N 2.91Å; V462-Y500 PolarHBondContact N-OH 3.32Å; V462-Y500 WeakPolarHBondContact O-CE1 3.44Å; V462-Y500 PolarHBondContact O-OH 2.83Å
463E91.4Very high94.5Very high161 Ų16145 Ų4575%0.75223%0.23SC*.  trans-62.8129.9175.6-66.4-176.7-178.100111.1V435 Q461V435-E463 WeakPolarHBondContact CG2-O 3.38Å; Q461-E463 PolarHBondContact O-N 2.95Å
464M91.8Very high94.3Very high24 Ų2449.6 Ų49.612%0.11825%0.252CS..  trans-123.6135.4-179.3-76.1-172.6-8600111.2L438 L458 V462 F469 L472 Y500L438-M464 HydrophobicContact CD2-CG 3.33Å; L438-M464 HydrophobicContact CD2-SD 3.59Å; L438-M464 VanDerWaalsContact CD2-SD 3.59Å; L458-M464 HydrophobicContact CD2-CE 3.75Å; L458-M464 HydrophobicContact CD2-SD 4.27Å; V462-M464 PolarHBondContact O-N 2.91Å; M464-F469 HydrophobicContact CB-CB 4.43Å; M464-F469 HydrophobicContact CE-CD2 3.77Å; M464-F469 HydrophobicContact CE-CE2 4.18Å; M464-F469 HydrophobicContact SD-CD2 3.99Å; M464-L472 HydrophobicContact CE-CD2 4.09Å; M464-L472 HydrophobicContact SD-CD2 4Å; M464-Y500 HydrophobicContact CE-CD1 3.28Å; M464-Y500 HydrophobicContact CE-CD2 4.3Å; M464-Y500 HydrophobicContact CE-CE1 3.04Å; M464-Y500 HydrophobicContact CE-CE2 4.11Å; M464-Y500 HydrophobicContact CE-CG 3.91Å; M464-Y500 VanDerWaalsContact CE-CZ 3.48Å
465T91.6Very high94.2Very high64 Ų6452 Ų5239%0.39326%0.262SS..  trans-71.1153.7165.775.60000110E467 K468 F469T465-E467 WeakPolarHBondContact CB-OE2 3.38Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.15Å; T465-E467 PolarHBondContact OG1-OE2 3.16Å; T465-K468 PolarHBondContact O-N 2.97Å; T465-K468 VanDerWaalsContact O-N 3.16Å; T465-K468 PolarHBondContact OG1-N 3.09Å; T465-F469 PolarHBondContact O-N 3.29Å
466P91.1Very high94.1Very high99 Ų9951 Ų5164%0.64326%0.257SS*.Hα-helixtrans-54.3-33.9177.8-26.835.8000113.1F469 S470P466-F469 PolarHBondContact O-N 2.92Å; P466-S470 WeakPolarHBondContact O-CB 3.43Å; P466-S470 PolarHBondContact O-N 3.38Å
467E92.3Very high93.8Very high126 Ų12652.2 Ų52.259%0.58927%0.266SS*.Hα-helixtrans-69.2-46.2179.9-53.673.3-156.400111.4T465 F469 S470 V471T465-E467 WeakPolarHBondContact CB-OE2 3.38Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.15Å; T465-E467 PolarHBondContact OG1-OE2 3.16Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.42Å; E467-S470 WeakPolarHBondContact O-CB 3.28Å; E467-S470 PolarHBondContact O-N 3.08Å; E467-V471 WeakPolarHBondContact O-CG2 3.32Å; E467-V471 PolarHBondContact O-N 3.47Å; E467-V471 VanDerWaalsContact O-N 3.09Å
468K92.5Very high93.6Very high56 Ų5658.8 Ų58.824%0.24329%0.294CS..Hα-helixtrans-64-39.7175.7-76.2-172.2173.5-178.20111.1V435 L442 T465 V471 L472V435-K468 PolarHBondContact O-NZ 3.34Å; L442-K468 HydrophobicContact CD1-CB 4.27Å; T465-K468 PolarHBondContact O-N 2.97Å; T465-K468 VanDerWaalsContact O-N 3.16Å; T465-K468 PolarHBondContact OG1-N 3.09Å; K468-V471 PolarHBondContact O-N 3.12Å; K468-L472 PolarHBondContact O-N 3.25Å
469F95.5Very high93.2Very high4 Ų462.6 Ų62.62%0.01831%0.311CS..Hα-helixtrans-64.5-41.2176.2-167.9-101.2000111.6M464 T465 P466 E467 V471 L472 M473 V496 Y500 N503 I504M464-F469 HydrophobicContact CB-CB 4.43Å; M464-F469 HydrophobicContact CE-CD2 3.77Å; M464-F469 HydrophobicContact CE-CE2 4.18Å; M464-F469 HydrophobicContact SD-CD2 3.99Å; T465-F469 PolarHBondContact O-N 3.29Å; P466-F469 PolarHBondContact O-N 2.92Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.42Å; F469-V471 VanDerWaalsContact C-N 3.34Å; F469-V471 PolarHBondContact O-N 2.8Å; F469-L472 HydrophobicContact CD2-CD2 4.14Å; F469-L472 HydrophobicContact CE2-CD2 4.17Å; F469-L472 WeakPolarHBondContact O-CB 3.36Å; F469-L472 PolarHBondContact O-N 3.43Å; F469-M473 HydrophobicContact CD1-CG 3.85Å; F469-M473 HydrophobicContact CE1-CG 3.51Å; F469-M473 HydrophobicContact CE1-SD 3.9Å; F469-M473 HydrophobicContact CE2-SD 4.39Å; F469-M473 HydrophobicContact CZ-CG 3.93Å; F469-M473 HydrophobicContact CZ-SD 3.73Å; F469-M473 VanDerWaalsContact O-CG 3.28Å; F469-M473 WeakPolarHBondContact O-CG 3.46Å; F469-M473 PolarHBondContact O-N 3.5Å; F469-V496 HydrophobicContact CE2-CG1 4.34Å; F469-V496 HydrophobicContact CZ-CG1 4.35Å; F469-Y500 HydrophobicContact CE2-CD1 4.44Å; F469-Y500 HydrophobicContact CE2-CG 4.17Å; F469-N503 HydrophobicContact CD1-CB 3.95Å; F469-N503 HydrophobicContact CD2-CB 4.29Å; F469-N503 HydrophobicContact CE1-CB 3.73Å; F469-N503 WeakPolarHBondContact CE1-O 3.36Å; F469-N503 HydrophobicContact CE2-CB 4.09Å; F469-N503 HydrophobicContact CG-CB 4.22Å; F469-N503 HydrophobicContact CZ-CB 3.8Å; F469-I504 HydrophobicContact CE1-CG1 4.07Å; F469-I504 HydrophobicContact CZ-CG1 3.74Å
470S93.9Very high92.5Very high55 Ų5559.3 Ų59.339%0.38530%0.296SS..Hα-helixtrans-57.4-45.7173.8-177.80000112.1P466 E467 L472 M473 E474P466-S470 WeakPolarHBondContact O-CB 3.43Å; P466-S470 PolarHBondContact O-N 3.38Å; E467-S470 WeakPolarHBondContact O-CB 3.28Å; E467-S470 PolarHBondContact O-N 3.08Å; S470-L472 VanDerWaalsContact C-N 3.35Å; S470-L472 PolarHBondContact O-N 3.32Å; S470-M473 PolarHBondContact O-N 2.9Å; S470-E474 WeakPolarHBondContact O-CB 3.48Å; S470-E474 PolarHBondContact O-N 2.96Å
471V95.4Very high91.8Very high57 Ų5761.9 Ų61.935%0.34531%0.314SS..Hα-helixtrans-61.9-42.9177173.30000111.3L442 E467 K468 F469 E474 K475L442-V471 HydrophobicContact CB-CG1 4.49Å; E467-V471 WeakPolarHBondContact O-CG2 3.32Å; E467-V471 PolarHBondContact O-N 3.47Å; E467-V471 VanDerWaalsContact O-N 3.09Å; K468-V471 PolarHBondContact O-N 3.12Å; F469-V471 VanDerWaalsContact C-N 3.34Å; F469-V471 PolarHBondContact O-N 2.8Å; V471-E474 PolarHBondContact O-N 3.21Å; V471-K475 WeakPolarHBondContact O-CB 3.37Å; V471-K475 WeakPolarHBondContact O-CG 3.47Å; V471-K475 PolarHBondContact O-N 3.34Å
472L96.5Very high91.5Very high0 Ų060 Ų600%032%0.32CS..Hα-helixtrans-57.1-50.5174.8174.972.1000110.9L442 W446 L454 L458 M464 K468 F469 S470 K475 L476 V496L442-L472 HydrophobicContact CD2-CB 4.11Å; L442-L472 HydrophobicContact CD2-CD1 3.82Å; W446-L472 HydrophobicContact CH2-CD1 3.7Å; W446-L472 HydrophobicContact CZ2-CD1 4Å; L454-L472 HydrophobicContact CD2-CD1 3.8Å; L458-L472 HydrophobicContact CD1-CD1 4.32Å; L458-L472 HydrophobicContact CD1-CD2 4.12Å; M464-L472 HydrophobicContact CE-CD2 4.09Å; M464-L472 HydrophobicContact SD-CD2 4Å; K468-L472 PolarHBondContact O-N 3.25Å; F469-L472 HydrophobicContact CD2-CD2 4.14Å; F469-L472 HydrophobicContact CE2-CD2 4.17Å; F469-L472 WeakPolarHBondContact O-CB 3.36Å; F469-L472 PolarHBondContact O-N 3.43Å; S470-L472 VanDerWaalsContact C-N 3.35Å; S470-L472 PolarHBondContact O-N 3.32Å; L472-K475 PolarHBondContact O-N 3.41Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CG 3.41Å; L472-L476 PolarHBondContact O-N 2.96Å; L472-V496 HydrophobicContact CD2-CG2 4.09Å
473M95.2Very high91.3Very high2 Ų260.4 Ų60.41%0.0132%0.324CS..Hα-helixtrans-64.4-42.3-178.2-66.6-54.3-72.400112.5F469 S470 K475 L476 C477 V496 I504 Q508 L512F469-M473 HydrophobicContact CD1-CG 3.85Å; F469-M473 HydrophobicContact CE1-CG 3.51Å; F469-M473 HydrophobicContact CE1-SD 3.9Å; F469-M473 HydrophobicContact CE2-SD 4.39Å; F469-M473 HydrophobicContact CZ-CG 3.93Å; F469-M473 HydrophobicContact CZ-SD 3.73Å; F469-M473 VanDerWaalsContact O-CG 3.28Å; F469-M473 WeakPolarHBondContact O-CG 3.46Å; F469-M473 PolarHBondContact O-N 3.5Å; S470-M473 PolarHBondContact O-N 2.9Å; M473-K475 PolarHBondContact O-N 2.9Å; M473-L476 PolarHBondContact O-N 3.34Å; M473-L476 HydrophobicContact SD-CD1 4.22Å; M473-C477 PolarHBondContact O-N 3.27Å; M473-C477 PolarHBondContact O-SG 2.71Å; M473-V496 HydrophobicContact SD-CG1 3.86Å; M473-I504 HydrophobicContact CE-CG1 4.25Å; M473-I504 HydrophobicContact CE-CG2 4.32Å; M473-Q508 HydrophobicContact CB-CG 4.06Å; M473-Q508 HydrophobicContact CE-CB 3.78Å; M473-Q508 HydrophobicContact CE-CG 4.44Å; M473-Q508 HydrophobicContact CG-CG 4.26Å; M473-L512 HydrophobicContact CE-CD1 3.63Å; M473-L512 HydrophobicContact CE-CD2 3.74Å; M473-L512 HydrophobicContact CE-CG 3.65Å
474E93.9Very high91.1Very high96 Ų9654.5 Ų54.545%0.44930%0.299SS..Hα-helixtrans-59.9-46.6176-173.9-171.6162.200111.2S470 V471 C477 K478S470-E474 WeakPolarHBondContact O-CB 3.48Å; S470-E474 PolarHBondContact O-N 2.96Å; V471-E474 PolarHBondContact O-N 3.21Å; E474-C477 PolarHBondContact O-N 3.15Å; E474-K478 HydrophobicContact CG-CD 4.13Å; E474-K478 WeakPolarHBondContact O-CB 3.27Å; E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.41Å; E474-K478 PolarHBondContact O-N 3.35Å; E474-K478 WeakPolarHBondContact OE1-CE 3.34Å; E474-K478 IonicContact OE1-NZ 3.14Å; E474-K478 PolarHBondContact OE1-NZ 3.25Å
475K94.3Very high91.1Very high51 Ų5158.5 Ų58.522%0.22233%0.325CS..Hα-helixtrans-65.7-40.9178.5-76-165168.5-166.70112.4L442 L444 W446 V471 L472 M473 K478 K479L442-K475 VanDerWaalsContact O-CE 3.28Å; L442-K475 WeakPolarHBondContact O-CE 3.31Å; L442-K475 PolarHBondContact O-NZ 3.5Å; L444-K475 PolarHBondContact O-NZ 2.88Å; W446-K475 HydrophobicContact CD2-CB 3.97Å; W446-K475 HydrophobicContact CD2-CD 3.99Å; W446-K475 HydrophobicContact CE3-CB 3.79Å; W446-K475 HydrophobicContact CG-CD 4.23Å; W446-K475 HydrophobicContact CH2-CB 3.78Å; W446-K475 HydrophobicContact CZ2-CB 3.9Å; W446-K475 HydrophobicContact CZ2-CD 4.07Å; W446-K475 HydrophobicContact CZ3-CB 3.72Å; V471-K475 WeakPolarHBondContact O-CB 3.37Å; V471-K475 WeakPolarHBondContact O-CG 3.47Å; V471-K475 PolarHBondContact O-N 3.34Å; L472-K475 PolarHBondContact O-N 3.41Å; M473-K475 PolarHBondContact O-N 2.9Å; K475-K478 PolarHBondContact O-N 3.12Å; K475-K479 WeakPolarHBondContact O-CB 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.4Å; K475-K479 PolarHBondContact O-N 3.2Å
476L94.6Very high91.2Very high0 Ų056 Ų560%031%0.31CS..Hα-helixtrans-59.2-54.1174.9-74.1166.3000110.8W446 L472 M473 K478 K479 G480 Y489 L492 M493 V496W446-L476 HydrophobicContact CH2-CD2 3.98Å; W446-L476 HydrophobicContact CH2-CG 3.87Å; W446-L476 HydrophobicContact CZ3-CB 4.47Å; W446-L476 HydrophobicContact CZ3-CD2 3.65Å; W446-L476 HydrophobicContact CZ3-CG 3.79Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CG 3.41Å; L472-L476 PolarHBondContact O-N 2.96Å; M473-L476 PolarHBondContact O-N 3.34Å; M473-L476 HydrophobicContact SD-CD1 4.22Å; L476-K478 VanDerWaalsContact C-N 3.3Å; L476-K478 PolarHBondContact O-N 3.37Å; L476-K479 PolarHBondContact O-N 3.43Å; L476-K479 VanDerWaalsContact O-N 3.13Å; L476-G480 PolarHBondContact O-N 3.14Å; L476-Y489 HydrophobicContact CD2-CE2 3.94Å; L476-Y489 PolarHBondContact O-OH 3.3Å; L476-L492 HydrophobicContact CD2-CD2 3.71Å; L476-L492 HydrophobicContact CD2-CG 3.94Å; L476-M493 HydrophobicContact CB-SD 3.9Å; L476-M493 HydrophobicContact CD1-SD 4.27Å; L476-M493 HydrophobicContact CD2-CG 4.26Å; L476-M493 HydrophobicContact CD2-SD 3.76Å; L476-M493 HydrophobicContact CG-SD 4.18Å; L476-V496 HydrophobicContact CD1-CB 4.36Å; L476-V496 HydrophobicContact CD1-CG1 4.2Å; L476-V496 HydrophobicContact CD1-CG2 4Å
477C92.1Very high91.4Very high32 Ų3254.8 Ų54.822%0.21630%0.296CS..Hα-helixtrans-58.7-41.9-178.7-630000112.1M473 E474 G511M473-C477 PolarHBondContact O-N 3.27Å; M473-C477 PolarHBondContact O-SG 2.71Å; E474-C477 PolarHBondContact O-N 3.15Å; C477-G511 VanDerWaalsContact SG-C 3.5Å
478K90.6Very high91.5Very high138 Ų13849.1 Ų49.160%0.627%0.271SS*.Hα-helixtrans-65.6-38.7177.6-75.2176.9175.6179.80113E474 K475 L476E474-K478 HydrophobicContact CG-CD 4.13Å; E474-K478 WeakPolarHBondContact O-CB 3.27Å; E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.41Å; E474-K478 PolarHBondContact O-N 3.35Å; E474-K478 WeakPolarHBondContact OE1-CE 3.34Å; E474-K478 IonicContact OE1-NZ 3.14Å; E474-K478 PolarHBondContact OE1-NZ 3.25Å; K475-K478 PolarHBondContact O-N 3.12Å; L476-K478 VanDerWaalsContact C-N 3.3Å; L476-K478 PolarHBondContact O-N 3.37Å
479K90Very high91.6Very high80 Ų8046.5 Ų46.535%0.34826%0.26SS..Hα-helixtrans-81.7-22.2-176.6-72.6-65.6-174.3168.30114W446 F451 K475 L476 L481 A482 A483 Y489W446-K479 HydrophobicContact CB-CD 4.42Å; W446-K479 HydrophobicContact CB-CG 4.18Å; W446-K479 HydrophobicContact CE3-CG 4.1Å; W446-K479 WeakPolarHBondContact O-CE 3.47Å; W446-K479 PolarHBondContact O-NZ 2.95Å; F451-K479 HydrophobicContact CZ-CB 4.46Å; K475-K479 WeakPolarHBondContact O-CB 3.27Å; K475-K479 WeakPolarHBondContact O-CG 3.4Å; K475-K479 PolarHBondContact O-N 3.2Å; L476-K479 PolarHBondContact O-N 3.43Å; L476-K479 VanDerWaalsContact O-N 3.13Å; K479-L481 PolarHBondContact O-N 2.93Å; K479-A482 PolarHBondContact O-N 2.98Å; K479-A483 WeakPolarHBondContact O-CB 3.42Å; K479-A483 PolarHBondContact O-N 3.38Å; K479-Y489 HydrophobicContact CB-CE2 4.25Å
480G80.7Confident91.6Very high1 Ų146.3 Ų46.31%0.0126%0.259CS..Hα-helixtrans-56.3-34.2-178.600000115L476 A482 A483 Y489L476-G480 PolarHBondContact O-N 3.14Å; G480-A482 VanDerWaalsContact C-N 3.28Å; G480-A482 PolarHBondContact O-N 3.35Å; G480-A483 PolarHBondContact O-N 3.07Å; G480-Y489 VanDerWaalsContact CA-CZ 3.41Å; G480-Y489 WeakPolarHBondContact CA-OH 3.5Å; G480-Y489 PolarHBondContact N-OH 2.69Å
481L79.4Confident91.7Very high125 Ų12548.3 Ų48.365%0.65426%0.261SS*.THydrogen-bonded Turntrans-65.6-29.3177.1-62.9177.6000113.3K479 P518K479-L481 PolarHBondContact O-N 2.93Å; L481-P518 HydrophobicContact CD2-CG 4.33Å
482A85.7Confident91.8Very high86 Ų8645.6 Ų45.671%0.71124%0.244SC*.THydrogen-bonded Turntrans-96.6-17.9-179.700000113.2K479 G480K479-A482 PolarHBondContact O-N 2.98Å; G480-A482 VanDerWaalsContact C-N 3.28Å; G480-A482 PolarHBondContact O-N 3.35Å
483A88.1Confident91.7Very high11 Ų1145.6 Ų45.69%0.09124%0.244CC..  trans-108.834.6-173.400000112.8F451 K479 G480 T485 S486 Y489F451-A483 HydrophobicContact CE2-CB 4.42Å; K479-A483 WeakPolarHBondContact O-CB 3.42Å; K479-A483 PolarHBondContact O-N 3.38Å; G480-A483 PolarHBondContact O-N 3.07Å; A483-T485 PolarHBondContact O-N 2.96Å; A483-S486 PolarHBondContact O-N 3.41Å; A483-Y489 HydrophobicContact CB-CD1 3.92Å; A483-Y489 HydrophobicContact CB-CD2 4.06Å; A483-Y489 HydrophobicContact CB-CG 3.65Å
484T88.2Confident91.8Very high37 Ų3747.6 Ų47.623%0.22726%0.255CS..THydrogen-bonded Turntrans-63.3-27.9-172.955.70000113.9P518 N519 T520T484-P518 WeakPolarHBondContact CB-O 3.38Å; T484-P518 HydrophobicContact CG2-CB 3.82Å; T484-P518 HydrophobicContact CG2-CG 3.93Å; T484-N519 PolarHBondContact O-ND2 2.86Å; T484-T520 PolarHBondContact O-N 3.24Å; T484-T520 PolarHBondContact O-OG1 3.36Å
485T91.8Very high92Very high108 Ų10843.6 Ų43.666%0.66324%0.237SC*.THydrogen-bonded Turntrans-104.3-7.7179.955.80000113.9A483 M487A483-T485 PolarHBondContact O-N 2.96Å; T485-M487 PolarHBondContact O-N 3.38Å
486S93.9Very high92.1Very high11 Ų1141.1 Ų41.18%0.07723%0.226CC..  trans-77.7117.6-175.2177.30000111.5E448 A483 A488 Y489 A490E448-S486 PolarHBondContact OE1-OG 3.41Å; A483-S486 PolarHBondContact O-N 3.41Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.44Å; S486-A488 PolarHBondContact OG-N 2.68Å; S486-Y489 PolarHBondContact O-N 3.18Å; S486-Y489 PolarHBondContact OG-N 3.09Å; S486-A490 PolarHBondContact O-N 2.91Å; S486-A490 VanDerWaalsContact O-N 3.12Å
487M94.6Very high92.1Very high74 Ų7441.2 Ų41.237%0.36523%0.227SC..Hα-helixtrans-67.1-33.7175.5-171.163.7171.800111.7T485 A490 K491 L523T485-M487 PolarHBondContact O-N 3.38Å; M487-A490 PolarHBondContact O-N 2.94Å; M487-K491 WeakPolarHBondContact O-CG 3.23Å; M487-K491 PolarHBondContact O-N 2.76Å; M487-L523 HydrophobicContact CE-CD1 3.64Å; M487-L523 HydrophobicContact CE-CD2 4.07Å; M487-L523 HydrophobicContact CE-CG 3.61Å; M487-L523 HydrophobicContact SD-CD1 3.84Å; M487-L523 HydrophobicContact SD-CG 3.89Å
488A94.3Very high92.2Very high8 Ų843 Ų437%0.06624%0.236CC..Hα-helixtrans-64-45.8177.800000111.4E448 F451 L452 S486 K491 L492E448-A488 HydrophobicContact CG-CB 4.3Å; F451-A488 HydrophobicContact CB-CB 3.85Å; F451-A488 HydrophobicContact CD2-CB 4.4Å; L452-A488 HydrophobicContact CD2-CB 3.53Å; L452-A488 HydrophobicContact CG-CB 3.83Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.44Å; S486-A488 PolarHBondContact OG-N 2.68Å; A488-K491 PolarHBondContact O-N 2.98Å; A488-L492 WeakPolarHBondContact O-CB 3.19Å; A488-L492 PolarHBondContact O-N 3.44Å
489Y95.8Very high92.4Very high1 Ų140.3 Ų40.30%0.00423%0.225CC..Hα-helixtrans-61.2-44.9174.1177-97.6000111.9F451 L476 K479 G480 A483 S486 K491 L492 M493F451-Y489 HydrophobicContact CD1-CD2 4.34Å; F451-Y489 AromaticContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE1-CD2 3.99Å; F451-Y489 HydrophobicContact CE2-CD2 4.3Å; F451-Y489 AromaticContact CZ-CD2 3.98Å; F451-Y489 HydrophobicContact CZ-CD2 3.98Å; L476-Y489 HydrophobicContact CD2-CE2 3.94Å; L476-Y489 PolarHBondContact O-OH 3.3Å; K479-Y489 HydrophobicContact CB-CE2 4.25Å; G480-Y489 VanDerWaalsContact CA-CZ 3.41Å; G480-Y489 WeakPolarHBondContact CA-OH 3.5Å; G480-Y489 PolarHBondContact N-OH 2.69Å; A483-Y489 HydrophobicContact CB-CD1 3.92Å; A483-Y489 HydrophobicContact CB-CD2 4.06Å; A483-Y489 HydrophobicContact CB-CG 3.65Å; S486-Y489 PolarHBondContact O-N 3.18Å; S486-Y489 PolarHBondContact OG-N 3.09Å; Y489-K491 PolarHBondContact O-N 3Å; Y489-L492 WeakPolarHBondContact O-CB 3.47Å; Y489-L492 PolarHBondContact O-N 3.06Å; Y489-M493 HydrophobicContact CD1-CG 4.07Å; Y489-M493 HydrophobicContact CD2-CG 4.48Å; Y489-M493 HydrophobicContact CE1-CE 4.47Å; Y489-M493 HydrophobicContact CE1-CG 3.56Å; Y489-M493 HydrophobicContact CE1-SD 4.26Å; Y489-M493 HydrophobicContact CE2-CG 4.02Å; Y489-M493 HydrophobicContact CE2-SD 4.28Å; Y489-M493 HydrophobicContact CG-CG 4.49Å; Y489-M493 WeakPolarHBondContact O-CG 3.11Å; Y489-M493 PolarHBondContact O-N 3.41Å; Y489-M493 PolarHBondContact OH-SD 3.39Å
490A95.1Very high92.7Very high0 Ų037.2 Ų37.20%021%0.211CC..Hα-helixtrans-60.3-42.2177.800000112.6S486 M487 M493 L494 T521 L523 L527S486-A490 PolarHBondContact O-N 2.91Å; S486-A490 VanDerWaalsContact O-N 3.12Å; M487-A490 PolarHBondContact O-N 2.94Å; A490-M493 PolarHBondContact O-N 3.42Å; A490-L494 WeakPolarHBondContact O-CB 3.3Å; A490-L494 PolarHBondContact O-N 3.13Å; A490-T521 HydrophobicContact CB-CG2 4.12Å; A490-L523 HydrophobicContact CB-CB 4.21Å; A490-L523 HydrophobicContact CB-CD1 3.98Å; A490-L527 HydrophobicContact CB-CD1 3.98Å
491K96.3Very high93.2Very high97 Ų9741.6 Ų41.642%0.42223%0.231SC..Hα-helixtrans-65.7-40.5175-74.6179.8177.1-176.20112.5Q455 M487 A488 Y489 L494 T495 L523Q455-K491 HydrophobicContact CG-CB 4.42Å; M487-K491 WeakPolarHBondContact O-CG 3.23Å; M487-K491 PolarHBondContact O-N 2.76Å; A488-K491 PolarHBondContact O-N 2.98Å; Y489-K491 PolarHBondContact O-N 3Å; K491-L494 PolarHBondContact O-N 3.06Å; K491-T495 WeakPolarHBondContact O-CB 3.24Å; K491-T495 PolarHBondContact O-N 2.99Å; K491-T495 PolarHBondContact O-OG1 3.46Å; K491-L523 HydrophobicContact CG-CD1 3.72Å
492L96.9Very high93.8Very high0 Ų040.2 Ų40.20%024%0.238CC..Hα-helixtrans-61.3-49.3175.4174.361.5000111.1W446 F451 L454 Q455 L458 L476 A488 Y489 L494 T495 V496W446-L492 HydrophobicContact CH2-CD2 4.43Å; W446-L492 HydrophobicContact CZ3-CD2 4.41Å; F451-L492 HydrophobicContact CB-CD2 4.19Å; F451-L492 HydrophobicContact CD1-CD2 3.77Å; F451-L492 HydrophobicContact CG-CD2 4.36Å; L454-L492 HydrophobicContact CB-CD1 4.4Å; L454-L492 HydrophobicContact CD2-CD1 4.21Å; L454-L492 HydrophobicContact CD2-CD2 3.98Å; L454-L492 HydrophobicContact CG-CD1 3.97Å; L454-L492 HydrophobicContact CG-CD2 4.49Å; Q455-L492 HydrophobicContact CB-CB 4.14Å; Q455-L492 HydrophobicContact CB-CD1 3.99Å; Q455-L492 HydrophobicContact CG-CB 4.38Å; L458-L492 HydrophobicContact CD1-CD1 3.82Å; L476-L492 HydrophobicContact CD2-CD2 3.71Å; L476-L492 HydrophobicContact CD2-CG 3.94Å; A488-L492 WeakPolarHBondContact O-CB 3.19Å; A488-L492 PolarHBondContact O-N 3.44Å; Y489-L492 WeakPolarHBondContact O-CB 3.47Å; Y489-L492 PolarHBondContact O-N 3.06Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 3.42Å; L492-T495 WeakPolarHBondContact O-CB 3.38Å; L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 VanDerWaalsContact O-N 3.15Å; L492-V496 HydrophobicContact CD1-CG2 4.32Å; L492-V496 WeakPolarHBondContact O-CG2 3.17Å; L492-V496 PolarHBondContact O-N 3.45Å
493M95.1Very high94.1Very high0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-56.2-47.7176.4-74.8-75.9-78.200111.5L476 Y489 A490 T495 V496 M497 L512 L516 L527L476-M493 HydrophobicContact CB-SD 3.9Å; L476-M493 HydrophobicContact CD1-SD 4.27Å; L476-M493 HydrophobicContact CD2-CG 4.26Å; L476-M493 HydrophobicContact CD2-SD 3.76Å; L476-M493 HydrophobicContact CG-SD 4.18Å; Y489-M493 HydrophobicContact CD1-CG 4.07Å; Y489-M493 HydrophobicContact CD2-CG 4.48Å; Y489-M493 HydrophobicContact CE1-CE 4.47Å; Y489-M493 HydrophobicContact CE1-CG 3.56Å; Y489-M493 HydrophobicContact CE1-SD 4.26Å; Y489-M493 HydrophobicContact CE2-CG 4.02Å; Y489-M493 HydrophobicContact CE2-SD 4.28Å; Y489-M493 HydrophobicContact CG-CG 4.49Å; Y489-M493 WeakPolarHBondContact O-CG 3.11Å; Y489-M493 PolarHBondContact O-N 3.41Å; Y489-M493 PolarHBondContact OH-SD 3.39Å; A490-M493 PolarHBondContact O-N 3.42Å; M493-T495 VanDerWaalsContact C-N 3.3Å; M493-T495 PolarHBondContact O-N 3.07Å; M493-V496 PolarHBondContact O-N 3.46Å; M493-M497 WeakPolarHBondContact O-CB 3.48Å; M493-M497 WeakPolarHBondContact O-CG 3.46Å; M493-M497 PolarHBondContact O-N 3.42Å; M493-L512 HydrophobicContact CE-CB 4.38Å; M493-L512 HydrophobicContact CE-CD2 3.4Å; M493-L512 HydrophobicContact CE-CG 4.44Å; M493-L512 HydrophobicContact SD-CD2 3.72Å; M493-L516 HydrophobicContact CE-CD1 3.88Å; M493-L516 HydrophobicContact CE-CD2 3.57Å; M493-L516 HydrophobicContact CE-CG 3.55Å; M493-L527 HydrophobicContact CB-CD2 3.75Å
494L96.4Very high94.4Very high43 Ų4340.4 Ų40.423%0.22523%0.225CC..Hα-helixtrans-61.5-40.6178.4-174.262.3000111.7A490 K491 L492 M497 T498 L527 A530A490-L494 WeakPolarHBondContact O-CB 3.3Å; A490-L494 PolarHBondContact O-N 3.13Å; K491-L494 PolarHBondContact O-N 3.06Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 PolarHBondContact O-N 3.42Å; L494-M497 PolarHBondContact O-N 3.2Å; L494-T498 HydrophobicContact CD1-CG2 4.03Å; L494-T498 HydrophobicContact CG-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.18Å; L494-T498 VanDerWaalsContact O-CG2 3.29Å; L494-T498 WeakPolarHBondContact O-CG2 3.35Å; L494-T498 PolarHBondContact O-N 3.45Å; L494-T498 PolarHBondContact O-OG1 3.29Å; L494-L527 HydrophobicContact CB-CD2 3.89Å; L494-L527 HydrophobicContact CD1-CD2 4.41Å; L494-A530 HydrophobicContact CD1-CB 3.93Å
495T97.1Very high94.6Very high12 Ų1242.1 Ų42.17%0.07424%0.236CC..Hα-helixtrans-62.7-43.8177.9-59.70000110.8Q455 L458 E459 K491 L492 M493 T498 K499Q455-T495 PolarHBondContact NE2-OG1 3.34Å; Q455-T495 VanDerWaalsContact NE2-OG1 3.14Å; L458-T495 HydrophobicContact CB-CG2 4.24Å; E459-T495 HydrophobicContact CG-CG2 4.25Å; K491-T495 WeakPolarHBondContact O-CB 3.24Å; K491-T495 PolarHBondContact O-N 2.99Å; K491-T495 PolarHBondContact O-OG1 3.46Å; L492-T495 WeakPolarHBondContact O-CB 3.38Å; L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 VanDerWaalsContact O-N 3.15Å; M493-T495 VanDerWaalsContact C-N 3.3Å; M493-T495 PolarHBondContact O-N 3.07Å; T495-T498 PolarHBondContact O-OG1 3.5Å; T495-K499 HydrophobicContact CG2-CD 4.01Å; T495-K499 WeakPolarHBondContact O-CB 3.39Å; T495-K499 PolarHBondContact O-N 3.5Å
496V96.6Very high94.6Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-64.3-48.3177.2173.20000111.2L458 F469 L472 M473 L476 L492 M493 T498 Y500L458-V496 HydrophobicContact CD1-CG2 3.84Å; F469-V496 HydrophobicContact CE2-CG1 4.34Å; F469-V496 HydrophobicContact CZ-CG1 4.35Å; L472-V496 HydrophobicContact CD2-CG2 4.09Å; M473-V496 HydrophobicContact SD-CG1 3.86Å; L476-V496 HydrophobicContact CD1-CB 4.36Å; L476-V496 HydrophobicContact CD1-CG1 4.2Å; L476-V496 HydrophobicContact CD1-CG2 4Å; L492-V496 HydrophobicContact CD1-CG2 4.32Å; L492-V496 WeakPolarHBondContact O-CG2 3.17Å; L492-V496 PolarHBondContact O-N 3.45Å; M493-V496 PolarHBondContact O-N 3.46Å; V496-T498 VanDerWaalsContact C-N 3.26Å; V496-T498 PolarHBondContact O-N 3.18Å; V496-Y500 WeakPolarHBondContact O-CA 3.48Å; V496-Y500 WeakPolarHBondContact O-CB 3.42Å; V496-Y500 PolarHBondContact O-N 3.15Å
497M95.5Very high94.5Very high2 Ų246.9 Ų46.91%0.0126%0.257CS..Hα-helixtrans-67.5-23.9-177.1-66167.570.900113.7M493 L494 L512 L516 L527 A530 L531 L534M493-M497 WeakPolarHBondContact O-CB 3.48Å; M493-M497 WeakPolarHBondContact O-CG 3.46Å; M493-M497 PolarHBondContact O-N 3.42Å; L494-M497 PolarHBondContact O-N 3.2Å; M497-L512 HydrophobicContact CG-CD1 3.85Å; M497-L512 HydrophobicContact SD-CD1 4.32Å; M497-L516 HydrophobicContact CE-CD1 4.07Å; M497-L516 HydrophobicContact SD-CD1 3.89Å; M497-L527 WeakPolarHBondContact CE-O 3.35Å; M497-L527 HydrophobicContact SD-CD2 4.14Å; M497-A530 HydrophobicContact CB-CB 4.08Å; M497-A530 HydrophobicContact CE-CB 3.83Å; M497-L531 HydrophobicContact CE-CB 3.54Å; M497-L531 HydrophobicContact CE-CD1 3.94Å; M497-L531 HydrophobicContact CE-CG 4.34Å; M497-L534 HydrophobicContact CB-CD1 4.18Å; M497-L534 HydrophobicContact CE-CD1 4Å; M497-L534 HydrophobicContact CG-CD1 4.07Å
498T95Very high94.5Very high68 Ų6845 Ų4542%0.41725%0.248SC..Hα-helixtrans-98-40.2-178.953.70000112.9L494 T495 V496 Q501 A530L494-T498 HydrophobicContact CD1-CG2 4.03Å; L494-T498 HydrophobicContact CG-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.18Å; L494-T498 VanDerWaalsContact O-CG2 3.29Å; L494-T498 WeakPolarHBondContact O-CG2 3.35Å; L494-T498 PolarHBondContact O-N 3.45Å; L494-T498 PolarHBondContact O-OG1 3.29Å; T495-T498 PolarHBondContact O-OG1 3.5Å; V496-T498 VanDerWaalsContact C-N 3.26Å; V496-T498 PolarHBondContact O-N 3.18Å; T498-Q501 PolarHBondContact O-OE1 2.98Å; T498-A530 HydrophobicContact CG2-CB 4.41Å
499K94.7Very high94.4Very high83 Ų8346.9 Ų46.936%0.36125%0.253SS..Hα-helixtrans-90.1-25.3-177.6-68.3-179.5177.3-100.80113.8E459 Q461 T495E459-K499 WeakPolarHBondContact O-CE 3.39Å; E459-K499 PolarHBondContact O-NZ 3.5Å; Q461-K499 HydrophobicContact CG-CB 4.44Å; Q461-K499 HydrophobicContact CG-CD 4.06Å; Q461-K499 HydrophobicContact CG-CG 4.48Å; T495-K499 HydrophobicContact CG2-CD 4.01Å; T495-K499 WeakPolarHBondContact O-CB 3.39Å; T495-K499 PolarHBondContact O-N 3.5Å
500Y94.9Very high94.3Very high14 Ų1451.3 Ų51.36%0.05528%0.276CS..SBendtrans-117.823.1-176.2-58-91.7000112.4L458 Q461 V462 M464 F469 V496 A502 N503L458-Y500 HydrophobicContact CB-CE2 4.04Å; L458-Y500 HydrophobicContact CD2-CE2 4.18Å; L458-Y500 WeakPolarHBondContact CD2-OH 3.37Å; L458-Y500 PolarHBondContact O-OH 3.5Å; Q461-Y500 VanDerWaalsContact CA-OH 3.31Å; Q461-Y500 WeakPolarHBondContact CA-OH 3.31Å; V462-Y500 PolarHBondContact N-OH 3.32Å; V462-Y500 WeakPolarHBondContact O-CE1 3.44Å; V462-Y500 PolarHBondContact O-OH 2.83Å; M464-Y500 HydrophobicContact CE-CD1 3.28Å; M464-Y500 HydrophobicContact CE-CD2 4.3Å; M464-Y500 HydrophobicContact CE-CE1 3.04Å; M464-Y500 HydrophobicContact CE-CE2 4.11Å; M464-Y500 HydrophobicContact CE-CG 3.91Å; M464-Y500 VanDerWaalsContact CE-CZ 3.48Å; F469-Y500 HydrophobicContact CE2-CD1 4.44Å; F469-Y500 HydrophobicContact CE2-CG 4.17Å; V496-Y500 WeakPolarHBondContact O-CA 3.48Å; V496-Y500 WeakPolarHBondContact O-CB 3.42Å; V496-Y500 PolarHBondContact O-N 3.15Å; Y500-A502 PolarHBondContact O-N 2.97Å; Y500-A502 VanDerWaalsContact O-N 3.17Å; Y500-N503 PolarHBondContact O-N 3.29Å
501Q92.5Very high94.2Very high93 Ų9352.4 Ų52.444%0.43529%0.287SS..G310 helixtrans-51.1-39.1-179.956.7-17863.300113.6T498 N503 I504 L534T498-Q501 PolarHBondContact O-OE1 2.98Å; Q501-N503 PolarHBondContact O-N 2.86Å; Q501-I504 PolarHBondContact O-N 3.04Å; Q501-L534 HydrophobicContact CB-CD2 3.48Å; Q501-L534 VanDerWaalsContact CB-CD2 3.48Å
502A91.2Very high94Very high97 Ų9747.8 Ų47.880%0.80227%0.267SS*.G310 helixtrans-66.4-18.4-178.800000113.7Y500Y500-A502 PolarHBondContact O-N 2.97Å; Y500-A502 VanDerWaalsContact O-N 3.17Å
503N91.8Very high93.7Very high75 Ų7548.7 Ų48.740%0.40128%0.275SS..G310 helixtrans-98.1-8.5-177-62.554.2000112.1F469 Y500 Q501 T505F469-N503 HydrophobicContact CD1-CB 3.95Å; F469-N503 HydrophobicContact CD2-CB 4.29Å; F469-N503 HydrophobicContact CE1-CB 3.73Å; F469-N503 WeakPolarHBondContact CE1-O 3.36Å; F469-N503 HydrophobicContact CE2-CB 4.09Å; F469-N503 HydrophobicContact CG-CB 4.22Å; F469-N503 HydrophobicContact CZ-CB 3.8Å; Y500-N503 PolarHBondContact O-N 3.29Å; Q501-N503 PolarHBondContact O-N 2.86Å; N503-T505 PolarHBondContact O-N 3.02Å
504I94.3Very high93.5Very high25 Ų2554.2 Ų54.213%0.12830%0.302CS..  trans-83.6118.2-176.1-61.8173.2000109.6F469 M473 Q501 Q508 R509 L512 L534F469-I504 HydrophobicContact CE1-CG1 4.07Å; F469-I504 HydrophobicContact CZ-CG1 3.74Å; M473-I504 HydrophobicContact CE-CG1 4.25Å; M473-I504 HydrophobicContact CE-CG2 4.32Å; Q501-I504 PolarHBondContact O-N 3.04Å; I504-Q508 HydrophobicContact CG2-CB 4.16Å; I504-R509 HydrophobicContact CG2-CB 4.14Å; I504-L512 HydrophobicContact CD1-CD1 4.26Å; I504-L512 HydrophobicContact CG2-CD1 4.49Å; I504-L534 HydrophobicContact CD1-CD1 3.68Å; I504-L534 HydrophobicContact CD1-CD2 3.92Å; I504-L534 HydrophobicContact CD1-CG 4.48Å; I504-L534 HydrophobicContact CG2-CD1 4.35Å
505T92.8Very high93.2Very high73 Ų7352.2 Ų52.245%0.44829%0.292SS..  trans-79.8160.2173.262.40000111.7N503 T507 Q508 R509N503-T505 PolarHBondContact O-N 3.02Å; T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 3.25Å; T505-Q508 WeakPolarHBondContact O-CB 3.34Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.24Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.21Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; T505-R509 PolarHBondContact O-N 3.17Å
506E92.4Very high92.9Very high105 Ų10552.1 Ų52.149%0.49129%0.291SS..Hα-helixtrans-57.7-40.2178.8-178.856.8-161.500112.8Q508 R509 L510E506-Q508 VanDerWaalsContact C-N 3.34Å; E506-Q508 PolarHBondContact O-N 2.95Å; E506-R509 WeakPolarHBondContact O-CB 3.49Å; E506-R509 PolarHBondContact O-N 3.34Å; E506-R509 IonicContact OE1-CZ 3.31Å; E506-R509 IonicContact OE1-NE 3.66Å; E506-R509 PolarHBondContact OE1-NE 3.08Å; E506-R509 IonicContact OE1-NH2 2.8Å; E506-R509 PolarHBondContact OE1-NH2 2.98Å; E506-R509 IonicContact OE2-CZ 3.64Å; E506-R509 IonicContact OE2-NE 3.68Å; E506-R509 PolarHBondContact OE2-NE 2.93Å; E506-R509 IonicContact OE2-NH2 3.38Å; E506-L510 WeakPolarHBondContact O-CG 3.21Å; E506-L510 PolarHBondContact O-N 3Å
507T92.1Very high92.4Very high115 Ų11558 Ų5871%0.70632%0.318SS*.Hα-helixtrans-62.8-41.6175.8-48.40000111.8T505 L510 G511T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 3.25Å; T507-L510 PolarHBondContact O-N 3.39Å; T507-G511 PolarHBondContact O-N 3.44Å
508Q93.2Very high92Very high34 Ų3460.4 Ų60.416%0.15934%0.335CS..Hα-helixtrans-69.2-37176.9-71.2164.8-21.400111.6M473 I504 T505 E506 L510 G511 L512M473-Q508 HydrophobicContact CB-CG 4.06Å; M473-Q508 HydrophobicContact CE-CB 3.78Å; M473-Q508 HydrophobicContact CE-CG 4.44Å; M473-Q508 HydrophobicContact CG-CG 4.26Å; I504-Q508 HydrophobicContact CG2-CB 4.16Å; T505-Q508 WeakPolarHBondContact O-CB 3.34Å; T505-Q508 PolarHBondContact O-N 2.95Å; T505-Q508 VanDerWaalsContact OG1-CG 3.24Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.21Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; E506-Q508 VanDerWaalsContact C-N 3.34Å; E506-Q508 PolarHBondContact O-N 2.95Å; Q508-L510 PolarHBondContact O-N 3.04Å; Q508-G511 PolarHBondContact O-N 3.02Å; Q508-L512 WeakPolarHBondContact O-CG 3.47Å; Q508-L512 PolarHBondContact O-N 3.13Å
509R93.7Very high91.6Very high48 Ų4857.3 Ų57.318%0.18132%0.316CS..Hα-helixtrans-59.2-45.3174.2-169.8-16668.773.32111.5I504 T505 E506 G511 L512 A513 L531 L534I504-R509 HydrophobicContact CG2-CB 4.14Å; T505-R509 PolarHBondContact O-N 3.17Å; E506-R509 WeakPolarHBondContact O-CB 3.49Å; E506-R509 PolarHBondContact O-N 3.34Å; E506-R509 IonicContact OE1-CZ 3.31Å; E506-R509 IonicContact OE1-NE 3.66Å; E506-R509 PolarHBondContact OE1-NE 3.08Å; E506-R509 IonicContact OE1-NH2 2.8Å; E506-R509 PolarHBondContact OE1-NH2 2.98Å; E506-R509 IonicContact OE2-CZ 3.64Å; E506-R509 IonicContact OE2-NE 3.68Å; E506-R509 PolarHBondContact OE2-NE 2.93Å; E506-R509 IonicContact OE2-NH2 3.38Å; R509-G511 VanDerWaalsContact C-N 3.34Å; R509-L512 PolarHBondContact O-N 3.38Å; R509-A513 PolarHBondContact O-N 2.69Å; R509-L531 HydrophobicContact CG-CD1 3.9Å; R509-L534 HydrophobicContact CG-CB 4.01Å; R509-L534 HydrophobicContact CG-CD1 4.44Å
510L92.4Very high91.3Very high93 Ų9357.9 Ų57.949%0.48733%0.326SS..Hα-helixtrans-62.7-40.9174.3-68.3172.2000111.7E506 T507 Q508 L512 A513 M514E506-L510 WeakPolarHBondContact O-CG 3.21Å; E506-L510 PolarHBondContact O-N 3Å; T507-L510 PolarHBondContact O-N 3.39Å; Q508-L510 PolarHBondContact O-N 3.04Å; L510-L512 PolarHBondContact O-N 2.84Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.39Å; L510-M514 PolarHBondContact O-N 3.05Å; L510-M514 VanDerWaalsContact O-N 3.15Å
511G92.4Very high91.1Very high23 Ų2358 Ų5824%0.23733%0.328CS..Hα-helixtrans-60.2-43.5173.700000113.2C477 T507 Q508 R509 A513 M514 A515C477-G511 VanDerWaalsContact SG-C 3.5Å; T507-G511 PolarHBondContact O-N 3.44Å; Q508-G511 PolarHBondContact O-N 3.02Å; R509-G511 VanDerWaalsContact C-N 3.34Å; G511-A513 VanDerWaalsContact C-N 3.32Å; G511-A513 PolarHBondContact O-N 3.44Å; G511-M514 PolarHBondContact O-N 2.77Å; G511-A515 WeakPolarHBondContact O-CB 3.4Å; G511-A515 PolarHBondContact O-N 3.09Å; G511-A515 VanDerWaalsContact O-N 3.08Å
512L93Very high90.9Very high0 Ų063.3 Ų63.30%035%0.35CS..Hα-helixtrans-62.2-39.5174-68.6177000111.7M473 M493 M497 I504 Q508 R509 L510 A515 L516 L531 L534M473-L512 HydrophobicContact CE-CD1 3.63Å; M473-L512 HydrophobicContact CE-CD2 3.74Å; M473-L512 HydrophobicContact CE-CG 3.65Å; M493-L512 HydrophobicContact CE-CB 4.38Å; M493-L512 HydrophobicContact CE-CD2 3.4Å; M493-L512 HydrophobicContact CE-CG 4.44Å; M493-L512 HydrophobicContact SD-CD2 3.72Å; M497-L512 HydrophobicContact CG-CD1 3.85Å; M497-L512 HydrophobicContact SD-CD1 4.32Å; I504-L512 HydrophobicContact CD1-CD1 4.26Å; I504-L512 HydrophobicContact CG2-CD1 4.49Å; Q508-L512 WeakPolarHBondContact O-CG 3.47Å; Q508-L512 PolarHBondContact O-N 3.13Å; R509-L512 PolarHBondContact O-N 3.38Å; L510-L512 PolarHBondContact O-N 2.84Å; L512-A515 PolarHBondContact O-N 3.37Å; L512-L516 WeakPolarHBondContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.31Å; L512-L531 HydrophobicContact CB-CD1 4.23Å; L512-L534 HydrophobicContact CD1-CD1 4.27Å
513A91.6Very high90.9Very high20 Ų2060.2 Ų60.217%0.16532%0.32CS..Hα-helixtrans-57.8-51.7177.700000111.1R509 L510 G511 A515 L516 E517 L531R509-A513 PolarHBondContact O-N 2.69Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.39Å; G511-A513 VanDerWaalsContact C-N 3.32Å; G511-A513 PolarHBondContact O-N 3.44Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 2.65Å; A513-L516 PolarHBondContact O-N 3.05Å; A513-L516 VanDerWaalsContact O-N 3.08Å; A513-E517 WeakPolarHBondContact O-CG 3.38Å; A513-E517 PolarHBondContact O-N 3.19Å; A513-L531 HydrophobicContact CB-CD1 4.46Å; A513-L531 HydrophobicContact CB-CD2 3.67Å
514M90.7Very high90.8Very high115 Ų11562.1 Ų62.157%0.56732%0.322SS*.Hα-helixtrans-58.6-40.1176.8-65.7-60-55.400112.2L510 G511 L516 P518L510-M514 PolarHBondContact O-N 3.05Å; L510-M514 VanDerWaalsContact O-N 3.15Å; G511-M514 PolarHBondContact O-N 2.77Å; M514-L516 VanDerWaalsContact C-N 3.29Å; M514-L516 PolarHBondContact O-N 3.37Å; M514-P518 WeakPolarHBondContact O-CD 3.49Å
515A90Very high90.7Very high2 Ų269.3 Ų69.32%0.01735%0.352CS..Hα-helixtrans-70.2-24.1178.900000113.5G511 L512 A513G511-A515 WeakPolarHBondContact O-CB 3.4Å; G511-A515 PolarHBondContact O-N 3.09Å; G511-A515 VanDerWaalsContact O-N 3.08Å; L512-A515 PolarHBondContact O-N 3.37Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 2.65Å
516L89.5Confident90.8Very high10 Ų1068.5 Ų68.55%0.05235%0.349CS..Hα-helixtrans-97.5-19.6-177.1-72.2174.9000114M493 M497 L512 A513 M514 N519 L527M493-L516 HydrophobicContact CE-CD1 3.88Å; M493-L516 HydrophobicContact CE-CD2 3.57Å; M493-L516 HydrophobicContact CE-CG 3.55Å; M497-L516 HydrophobicContact CE-CD1 4.07Å; M497-L516 HydrophobicContact SD-CD1 3.89Å; L512-L516 WeakPolarHBondContact O-CB 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.31Å; A513-L516 PolarHBondContact O-N 3.05Å; A513-L516 VanDerWaalsContact O-N 3.08Å; M514-L516 VanDerWaalsContact C-N 3.29Å; M514-L516 PolarHBondContact O-N 3.37Å; L516-N519 VanDerWaalsContact O-CB 3.23Å; L516-N519 WeakPolarHBondContact O-CB 3.47Å; L516-N519 PolarHBondContact O-N 3.02Å; L516-L527 HydrophobicContact CD1-CB 4.2Å; L516-L527 HydrophobicContact CD2-CB 4.21Å; L516-L527 HydrophobicContact CD2-CD1 3.8Å; L516-L527 HydrophobicContact CD2-CD2 4.16Å; L516-L527 HydrophobicContact CD2-CG 4.28Å
517E87.6Confident90.8Very high122 Ų12263.7 Ų63.757%0.5733%0.327SS*.THydrogen-bonded Turntrans-48.8-49.5174.8-83178.5-175.800113.8A513 N519A513-E517 WeakPolarHBondContact O-CG 3.38Å; A513-E517 PolarHBondContact O-N 3.19Å; E517-N519 VanDerWaalsContact C-N 3.27Å; E517-N519 PolarHBondContact O-N 3.27Å
518P86.9Confident90.8Very high54 Ų5462.1 Ų62.135%0.35131%0.311SS..THydrogen-bonded Turntrans-833.6-179.734.6-37.4000113.7L481 T484 M514 T520L481-P518 HydrophobicContact CD2-CG 4.33Å; T484-P518 WeakPolarHBondContact CB-O 3.38Å; T484-P518 HydrophobicContact CG2-CB 3.82Å; T484-P518 HydrophobicContact CG2-CG 3.93Å; M514-P518 WeakPolarHBondContact O-CD 3.49Å; P518-T520 PolarHBondContact O-N 2.8Å
519N86.8Confident90.8Very high3 Ų363.2 Ų63.22%0.01633%0.326CS..  trans-66.5127.4-177.9-173.4-87.1000111.4T484 L516 E517 T521 R524T484-N519 PolarHBondContact O-ND2 2.86Å; L516-N519 VanDerWaalsContact O-CB 3.23Å; L516-N519 WeakPolarHBondContact O-CB 3.47Å; L516-N519 PolarHBondContact O-N 3.02Å; E517-N519 VanDerWaalsContact C-N 3.27Å; E517-N519 PolarHBondContact O-N 3.27Å; N519-T521 WeakPolarHBondContact OD1-CB 3.4Å; N519-T521 PolarHBondContact OD1-N 3.19Å; N519-T521 PolarHBondContact OD1-OG1 3.41Å; N519-R524 WeakPolarHBondContact O-CD 3.44Å
520T88.1Confident90.8Very high95 Ų9561.5 Ų61.558%0.58332%0.323SS*.  trans-112.611.5-178.561.20000112.9T484 P518T484-T520 PolarHBondContact O-N 3.24Å; T484-T520 PolarHBondContact O-OG1 3.36Å; P518-T520 PolarHBondContact O-N 2.8Å
521T90.8Very high90.8Very high15 Ų1558.3 Ų58.39%0.09231%0.306CS..SBendtrans-77.1162.4-179.772.40000112.1A490 N519 L523 R524A490-T521 HydrophobicContact CB-CG2 4.12Å; N519-T521 WeakPolarHBondContact OD1-CB 3.4Å; N519-T521 PolarHBondContact OD1-N 3.19Å; N519-T521 PolarHBondContact OD1-OG1 3.41Å; T521-L523 PolarHBondContact O-N 2.98Å; T521-L523 VanDerWaalsContact O-N 3.13Å; T521-L523 PolarHBondContact OG1-N 3.43Å; T521-R524 WeakPolarHBondContact O-CB 3.36Å; T521-R524 PolarHBondContact O-N 3.17Å; T521-R524 VanDerWaalsContact O-N 3.09Å
522F86.9Confident90.8Very high206 Ų20664.8 Ų64.890%0.90433%0.328SS*.THydrogen-bonded Turntrans-58.3-24.1173.7-65.8-76.2000113.5R524F522-R524 VanDerWaalsContact C-N 3.26Å; F522-R524 PolarHBondContact O-N 3.43Å
523L91.3Very high90.7Very high31 Ų3170 Ų7016%0.16235%0.351CS..THydrogen-bonded Turntrans-80.71.1179.1-64.7-178.7000114M487 A490 K491 T521 K525 S526 L527M487-L523 HydrophobicContact CE-CD1 3.64Å; M487-L523 HydrophobicContact CE-CD2 4.07Å; M487-L523 HydrophobicContact CE-CG 3.61Å; M487-L523 HydrophobicContact SD-CD1 3.84Å; M487-L523 HydrophobicContact SD-CG 3.89Å; A490-L523 HydrophobicContact CB-CB 4.21Å; A490-L523 HydrophobicContact CB-CD1 3.98Å; K491-L523 HydrophobicContact CG-CD1 3.72Å; T521-L523 PolarHBondContact O-N 2.98Å; T521-L523 VanDerWaalsContact O-N 3.13Å; T521-L523 PolarHBondContact OG1-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.27Å; L523-K525 PolarHBondContact O-N 2.89Å; L523-S526 PolarHBondContact O-N 3.21Å; L523-L527 HydrophobicContact CB-CD1 4.11Å; L523-L527 HydrophobicContact CB-CG 4.4Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 3.36Å
524R90.8Very high90.6Very high116 Ų11670.5 Ų70.544%0.43835%0.352SS..Hα-helixtrans-50-45.5-179.1-176.5-177.7-177169.34.9112.9N519 T521 F522 L527 Q528N519-R524 WeakPolarHBondContact O-CD 3.44Å; T521-R524 WeakPolarHBondContact O-CB 3.36Å; T521-R524 PolarHBondContact O-N 3.17Å; T521-R524 VanDerWaalsContact O-N 3.09Å; F522-R524 VanDerWaalsContact C-N 3.26Å; F522-R524 PolarHBondContact O-N 3.43Å; R524-L527 PolarHBondContact O-N 3.49Å; R524-Q528 WeakPolarHBondContact O-CB 3.39Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.44Å; R524-Q528 PolarHBondContact O-N 3.34Å
525K91.9Very high89.6Confident175 Ų17567.8 Ų67.876%0.76135%0.353SS*.Hα-helixtrans-64.3-45179.4-70.6-176.3179.7177.40111.8L523 Q528 A529L523-K525 VanDerWaalsContact C-N 3.27Å; L523-K525 PolarHBondContact O-N 2.89Å; K525-Q528 PolarHBondContact O-N 2.95Å; K525-A529 WeakPolarHBondContact O-CB 3.47Å; K525-A529 PolarHBondContact O-N 3.37Å
526S94.3Very high88.1Confident57 Ų5774 Ų7440%0.39940%0.396SS..Hα-helixtrans-64.2-40.3178.1-52.80000111.9L523 A529 A530L523-S526 PolarHBondContact O-N 3.21Å; S526-A529 PolarHBondContact O-N 3.4Å; S526-A530 WeakPolarHBondContact O-CB 3.3Å; S526-A530 PolarHBondContact O-N 2.87Å
527L93.4Very high88.1Confident3 Ų377.2 Ų77.22%0.01641%0.413CS..Hα-helixtrans-65.2-43.4176-72.3164.5000111.7A490 M493 L494 M497 L516 L523 R524 A529 A530 L531A490-L527 HydrophobicContact CB-CD1 3.98Å; M493-L527 HydrophobicContact CB-CD2 3.75Å; L494-L527 HydrophobicContact CB-CD2 3.89Å; L494-L527 HydrophobicContact CD1-CD2 4.41Å; M497-L527 WeakPolarHBondContact CE-O 3.35Å; M497-L527 HydrophobicContact SD-CD2 4.14Å; L516-L527 HydrophobicContact CD1-CB 4.2Å; L516-L527 HydrophobicContact CD2-CB 4.21Å; L516-L527 HydrophobicContact CD2-CD1 3.8Å; L516-L527 HydrophobicContact CD2-CD2 4.16Å; L516-L527 HydrophobicContact CD2-CG 4.28Å; L523-L527 HydrophobicContact CB-CD1 4.11Å; L523-L527 HydrophobicContact CB-CG 4.4Å; L523-L527 WeakPolarHBondContact O-CB 3.42Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 3.36Å; R524-L527 PolarHBondContact O-N 3.49Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.9Å; L527-A530 PolarHBondContact O-N 2.93Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.1Å
528Q91.8Very high88.1Confident82 Ų8274.8 Ų74.838%0.38341%0.405SS..Hα-helixtrans-64-38.5174.3-74.1177.7-9.700112.3R524 K525 L531 K532R524-Q528 WeakPolarHBondContact O-CB 3.39Å; R524-Q528 VanDerWaalsContact O-CG 3.3Å; R524-Q528 WeakPolarHBondContact O-CG 3.44Å; R524-Q528 PolarHBondContact O-N 3.34Å; K525-Q528 PolarHBondContact O-N 2.95Å; Q528-L531 PolarHBondContact O-N 3.19Å; Q528-K532 WeakPolarHBondContact O-CG 3.33Å; Q528-K532 PolarHBondContact O-N 3.32Å
529A93.6Very high88.2Confident57 Ų5776 Ų7647%0.47141%0.408SS..Hα-helixtrans-64.8-47175.500000111.5K525 S526 L527 L531 K532 H533K525-A529 WeakPolarHBondContact O-CB 3.47Å; K525-A529 PolarHBondContact O-N 3.37Å; S526-A529 PolarHBondContact O-N 3.4Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.9Å; A529-L531 VanDerWaalsContact C-N 3.31Å; A529-L531 PolarHBondContact O-N 3.32Å; A529-K532 PolarHBondContact O-N 2.98Å; A529-H533 PolarHBondContact O-N 3.33Å; A529-H533 VanDerWaalsContact O-N 3.09Å
530A93.9Very high88.2Confident13 Ų1380.3 Ų80.311%0.10743%0.431CS..Hα-helixtrans-59.9-40.8175.100000111.5L494 M497 T498 S526 L527 K532 H533 L534L494-A530 HydrophobicContact CD1-CB 3.93Å; M497-A530 HydrophobicContact CB-CB 4.08Å; M497-A530 HydrophobicContact CE-CB 3.83Å; T498-A530 HydrophobicContact CG2-CB 4.41Å; S526-A530 WeakPolarHBondContact O-CB 3.3Å; S526-A530 PolarHBondContact O-N 2.87Å; L527-A530 PolarHBondContact O-N 2.93Å; A530-K532 VanDerWaalsContact C-N 3.34Å; A530-K532 PolarHBondContact O-N 3.44Å; A530-H533 PolarHBondContact O-N 3.42Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.26Å
531L92.5Very high88.3Confident25 Ų2579.4 Ų79.413%0.13142%0.422CS..Hα-helixtrans-64.2-38.7178.7-172.365.6000112.4M497 R509 L512 A513 L527 Q528 A529 H533 L534M497-L531 HydrophobicContact CE-CB 3.54Å; M497-L531 HydrophobicContact CE-CD1 3.94Å; M497-L531 HydrophobicContact CE-CG 4.34Å; R509-L531 HydrophobicContact CG-CD1 3.9Å; L512-L531 HydrophobicContact CB-CD1 4.23Å; A513-L531 HydrophobicContact CB-CD1 4.46Å; A513-L531 HydrophobicContact CB-CD2 3.67Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.1Å; Q528-L531 PolarHBondContact O-N 3.19Å; A529-L531 VanDerWaalsContact C-N 3.31Å; A529-L531 PolarHBondContact O-N 3.32Å; L531-H533 VanDerWaalsContact C-N 3.34Å; L531-L534 HydrophobicContact CD1-CD1 4.48Å; L531-L534 PolarHBondContact O-N 3.09Å
532K91.3Very high88.1Confident160 Ų16083.7 Ų83.770%0.69644%0.443SS*.Hα-helixtrans-64.8-40.1175.4-73.7174.9-178.2-176.90111.3Q528 A529 A530 L534 G535 S536Q528-K532 WeakPolarHBondContact O-CG 3.33Å; Q528-K532 PolarHBondContact O-N 3.32Å; A529-K532 PolarHBondContact O-N 2.98Å; A530-K532 VanDerWaalsContact C-N 3.34Å; A530-K532 PolarHBondContact O-N 3.44Å; K532-L534 PolarHBondContact O-N 3.38Å; K532-G535 PolarHBondContact O-N 3.17Å; K532-G535 VanDerWaalsContact O-N 3.1Å; K532-S536 PolarHBondContact O-N 3.23Å
533H91.6Very high88.2Confident108 Ų10874.9 Ų74.950%0.541%0.411SS..Hα-helixtrans-67.2-20.7177.6-165.6-66.3000113.2A529 A530 L531 G535 S536A529-H533 PolarHBondContact O-N 3.33Å; A529-H533 VanDerWaalsContact O-N 3.09Å; A530-H533 PolarHBondContact O-N 3.42Å; L531-H533 VanDerWaalsContact C-N 3.34Å; H533-G535 VanDerWaalsContact C-N 3.3Å; H533-S536 WeakPolarHBondContact CA-OG 3.46Å; H533-S536 PolarHBondContact O-OG 3.07Å
534L88.4Confident87.9Confident32 Ų3278.3 Ų78.317%0.16843%0.43CS..THydrogen-bonded Turntrans-76.5-17.5172.9-65.2175.1000113.3M497 Q501 I504 R509 L512 A530 L531 K532M497-L534 HydrophobicContact CB-CD1 4.18Å; M497-L534 HydrophobicContact CE-CD1 4Å; M497-L534 HydrophobicContact CG-CD1 4.07Å; Q501-L534 HydrophobicContact CB-CD2 3.48Å; Q501-L534 VanDerWaalsContact CB-CD2 3.48Å; I504-L534 HydrophobicContact CD1-CD1 3.68Å; I504-L534 HydrophobicContact CD1-CD2 3.92Å; I504-L534 HydrophobicContact CD1-CG 4.48Å; I504-L534 HydrophobicContact CG2-CD1 4.35Å; R509-L534 HydrophobicContact CG-CB 4.01Å; R509-L534 HydrophobicContact CG-CD1 4.44Å; L512-L534 HydrophobicContact CD1-CD1 4.27Å; A530-L534 WeakPolarHBondContact O-CG 3.45Å; A530-L534 PolarHBondContact O-N 3.26Å; L531-L534 HydrophobicContact CD1-CD1 4.48Å; L531-L534 PolarHBondContact O-N 3.09Å; K532-L534 PolarHBondContact O-N 3.38Å
535G70.6Confident87.7Confident57 Ų5775.2 Ų75.259%0.58843%0.429SS*.  trans-102.7-0.5178.500000114.1K532 H533K532-G535 PolarHBondContact O-N 3.17Å; K532-G535 VanDerWaalsContact O-N 3.1Å; H533-G535 VanDerWaalsContact C-N 3.3Å
536S59.2Low87.3Confident133 Ų13366.1 Ų66.193%0.9340%0.399SS*.  trans-98.40170.860.40000109.9K532 H533K532-S536 PolarHBondContact O-N 3.23Å; H533-S536 WeakPolarHBondContact CA-OG 3.46Å; H533-S536 PolarHBondContact O-OG 3.07Å

Retrieved 536 of 536 residues in 249.2 ms (Link to these results)